AG0043TN

89-21-4 | 4-Chloro-2-nitroanisole

AG0043TN

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CAS Number	89-21-4
Catalog Number	AG0043TN(AGN-PC-0JL7AC)
Chemical Name	4-Chloro-2-nitroanisole
EC Number	201-887-9
IUPAC Name	4-chloro-1-methoxy-2-nitrobenzene
InChI	InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChI Key	OSAYFGJUEOYRHY-UHFFFAOYSA-N
MDL Number	MFCD00024327
Molecular Formula	C7H6ClNO3
Molecular Weight	187.5804
NSC Number	8445
SMILES	COC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonyms	4-Chloro-2-nitroanisole, 89-21-4, 4-Chloro-1-methoxy-2-nitrobenzene, Benzene, 4-chloro-1-methoxy-2-nitro-, 2-NITRO-4-CHLOROANISOLE, Anisole, 4-chloro-2-nitro-, OSAYFGJUEOYRHY-UHFFFAOYSA-N, MFCD00024327, 4-CHLORO-2-NITRO-1-METHOXYBENZENE, LABOTEST-BB LTBB001192, LABOTEST-BB LT03381711, 4-METHOXY-3-NITROCHLOROBENZENE, 4-chlor-2-nitroanisol, 2-nitryl-4-chloroanisole, NSC8445, EINECS 201-887-9, PubChem2626, p-Chloro-o-nitroanisole, AI3-01524, ACMC-209qz7, AC1L25SW, KSC494K9F, 5-Chloro-2-methoxynitrobenzene, SCHEMBL1119379, CTK3J4592, DTXSID90237469, 4-CHLORO-2-NITRO ANISOLE, KS-000011JS, NSC-8445, ZINC1586743, 4-chloro-1-methoxy-2-nitro-benzene, ANW-39233, SBB058888, 4-Chloro-1-methoxy-2-nitrobenzene #, AKOS005258425, 4-chloranyl-1-methoxy-2-nitro-benzene, AS00086, AS04153, MCULE-9096845712, RTR-028039, VZ28727, AJ-27580, AN-42457, BC676576, CJ-05541, CJ-25296, SY003806, U049, AB0019072, DB-024279, ST2418266, TR-028039, FT-0618038, ST50405431, A843092, 1-(5-chloro-2-methoxyphenyl)-3-methylpentan-3-ol, I01-0411, W-100381, InChI=1/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H, C7H6ClNO3, C7-H6-Cl-N-O3, CID66631, c0216, ACN-055794, 4-Chloro-2-nitroanisole, 98% - 25G 25g, A10694,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.579g/mol
Monoisotopic Mass	187.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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