AG001XKC

16773-42-5 | 1H-Imidazole-1-ethanol, α-(chloromethyl)-2-methyl-5-nitro-

AG001XKC

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CAS Number	16773-42-5
Catalog Number	AG001XKC(AGN-PC-0JKJTV)
Chemical Name	1H-Imidazole-1-ethanol, α-(chloromethyl)-2-methyl-5-nitro-
EC Number	240-826-0
IUPAC Name	1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
InChI	InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
InChI Key	IPWKIXLWTCNBKN-UHFFFAOYSA-N
MDL Number	MFCD00057960
Molecular Formula	C7H10ClN3O3
Molecular Weight	219.6256
SMILES	CC1=NC=C(N1CC(O)CCl)[N+]([O-])=O
Synonyms	Ornidazole, Ro 7 0207, Ro 7-0207, Ro 70207, Ro-70207, Ro7 0207, Ro7-0207, Ro70207, Tiberal, Ornidazole, 16773-42-5, Tiberal, Ornidazolum, Madelen, Ro 7-0207, Ornidazol, 1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole, 1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol, NSC 95075, 1-(2-Hydroxy-3-chloropropyl)-2-methyl-5-nitroimidazole, Ornidazole [USAN:INN], Ornidazol [INN-Spanish], Ornidazolum [INN-Latin], 1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)-2-propanol, Ornidazole Levo-, CCRIS 9030, EINECS 240-826-0, Ro-70207, Ro7-0207, BRN 0614299, C7H10ClN3O3, MLS000028628, alpha-(Chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol, alpha-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol, alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol, CHEBI:75176, 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro-, NSC95075, MFCD00057960, .alpha.-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol, AK-60553, SMR000058726, Imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-, 1H-Imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-, alpha-(Chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol [German], DSSTox_CID_25420, DSSTox_RID_80868, DSSTox_GSID_45420, 166734-83-4, Q-201520, 1-[3-Chloro-2-hydroxypropyl]-2-methyl-5-nitroimidazole, 1-chloro-3-(2-methyl-5-nitro-1-imidazolyl)-2-propanol, 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol, 1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol, Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro-, Ornidal, SR-01000000256, 3-chloro-1-(2-methyl-5-nitroimidazolyl)propan-2-ol, Ornidazole,(S), NCGC00016723-01, Prestwick_584, CAS-16773-42-5, Opera_ID_1555, Ornidazole (USAN/INN), Prestwick0_000164, Prestwick1_000164, Prestwick2_000164, Prestwick3_000164, (.+/-.)-Ornidazole, AC1L1EJ4, NCIOpen2_006374, SCHEMBL43039, BSPBio_000027, 5-23-05-00072 (Beilstein Handbook Reference), MLS001424188, ARONIS23874, SPBio_001948, Ornidazole, analytical standard, BPBio1_000031, CHEMBL1449676, DTXSID4045420, CTK8B7883, 1-(3-chloro-2-hydroxypropyl)-2-methyl-5-nitro-imidazole, BBC/159, IPWKIXLWTCNBKN-UHFFFAOYSA-N, HMS1568B09, HMS2051D22, HMS2093J22, HMS2095B09, HMS2234L22, HMS3373M17, HMS3393D22, HMS3652C03, HMS3712B09, Pharmakon1600-01505981, BB_SC-04838, BCP12975, BCP13382, HY-B0508, KS-00000XM2, KS-000046IF, ZX-AS004376, Tox21_110582, ANW-58859, BBL005302, HTS028365, NSC-95075, NSC759295, s3121, SBB006918, STK629340, AKOS005111039, AKOS015894928, Tox21_110582_1, AB02333, AC-2025, AM86682, API0003694, CCG-101064, CCG-213587, CS-2710, DB13026, MCULE-7000574302, NC00314, NSC-759295, NCGC00018275-02, NCGC00018275-05, AN-14384, AS-12121, CC-33355, CPD000058726, LS-78598, SAM001246873, SC-77073, SBI-0206881.P001, AB0011335, AB1004855, AX8146303, BB0293349, TR-007269, AB00513814, FT-0630433, O0417, ST24027072, ST45053251, SW196758-4, D05274, K-5196, AB00383044_14, AB00383044_15, 773O425, A810899, I06-0033, SR-01000000256-3, SR-01000000256-4, BRD-A42759514-001-03-1, BRD-A42759514-001-09-8, Ornidazole,1(3-chloro-2-hydroxypropyl)-2-methyl-5-, .alpha.-(Chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol, 1-chloranyl-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol, 1-chloro-3-(2-methyl-5-nitro-1N-imidazol-1-yl)propan-2-ol, .alpha.-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol, 1-Chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)-2-propanol #, (alphaS)-alpha-(Chloromethyl)-2-Methyl-5-Nitro-1H-Imidazole-1-Ethanol, alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol (9CI), ornidone, ornilox, ornisid, ornitop, (+-)-Ornidazole, UNII-62XCK0G93T, 62XCK0G93T, C7-H10-Cl-N3-O3, Ro70207, CID28061, Ro 70207, Ro7 0207, CS-O-02008, Ro 7 0207, D009950, 1H-imidazol-1-etanol, Alfa (clorometil)-2-metil-5-nitro-, alpha-(Chloromethyl)-2-methyl-5-nitro-1-imidazoleethanol, .Alfa.-(Clorometilcetonas)-2-metilo-5-nitro-1-imidazoletanol, Imidazol-1-etanol,. .-Alfa (clorometil)-2-metil-5-nitro-(8CI), Imidazole-1-ethanol alpha-(chloromethyl)-2-methyl-5-nitro-(8CI),

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.041g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.625g/mol
Monoisotopic Mass	219.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number