AG003JSX

121-89-1 | 3'-Nitroacetophenone

AG003JSX

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CAS Number	121-89-1
Catalog Number	AG003JSX(AGN-PC-0JK8KV)
Chemical Name	3'-Nitroacetophenone
EC Number	204-504-3
IUPAC Name	1-(3-nitrophenyl)ethanone
InChI	InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
InChI Key	ARKIFHPFTHVKDT-UHFFFAOYSA-N
MDL Number	MFCD00007259
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
NSC Number	5511
SMILES	CC(C1=CC=CC([N+]([O-])=O)=C1)=O
UNII	SU4B5T763F
Synonyms	3'-Nitroacetophenone, 121-89-1, 3-Nitroacetophenone, M-NITROACETOPHENONE, 1-(3-Nitrophenyl)ethanone, Ethanone, 1-(3-nitrophenyl)-, Acetophenone, 3'-nitro-, m-Acetylnitrobenzene, USAF MA-1, Methyl 3-nitrophenyl ketone, 3-Nitroacetofenon, 1-(3-nitrophenyl)ethan-1-one, NSC 5511, (3-Nitrophenyl) methyl ketone, 3-Nitroacetofenon [Czech], UNII-SU4B5T763F, CCRIS 2330, HSDB 2710, 1-Acetyl-3-nitrobenzene, EINECS 204-504-3, MFCD00007259, AI3-02242, SU4B5T763F, ARKIFHPFTHVKDT-UHFFFAOYSA-N, 3'-NITROACETOPHENONE;3'-Nitroacetophenone, m-Nitroacetophenone, 98%, 1-{3-nitrophenyl}ethanone, 3-nitro acetophenone, PubChem3285, 3''-Nitroacetophenone, AC1Q1JVF, AC1Q5ALL, DSSTox_CID_5722, ACMC-209aj3, WLN: WNR CV1, Cambridge id 5102515, DSSTox_RID_77891, META-NITROACETOPHENONE, 1-(3-nitrophenyl)-ethanone, DSSTox_GSID_25722, SCHEMBL54610, MLS002415744, 1-(3-Nitrophenyl)ethanone #, AC1L1R47, SCHEMBL2617114, CHEMBL1327526, DTXSID1025722, CTK4B2877, KS-00000BYN, NSC5511, HMS3039O12, ZINC148003, NSC-5511, STR00971, Tox21_200737, ANW-17917, LS-657, SBB040246, STL183285, AKOS000119652, CM14382, CS-W020548, MCULE-9430733658, NE10478, RP22780, RTR-003545, TRA0046920, NCGC00091314-01, NCGC00091314-02, NCGC00258291-01, AC-25903, AJ-12568, AK-47776, AN-43411, CAS-121-89-1, CJ-01096, I916, SC-00609, SMR001370908, SY001185, ZB005030, AB1002454, DB-041636, ST2417201, TR-003545, 3'-Nitroacetophenone, ReagentPlus(R), 99%, FT-0616229, N0109, ST50199695, 3 inverted exclamation mark -Nitroacetophenone, MFCD00007259 (98%), 3'-Nitroacetophenone, purum, >=98.0% (GC), AQ-917/40187877, I01-1614, W-108447, 3'-Nitroacetophenone, Vetec(TM) reagent grade, 98%, Z57127467, F3098-5170, InChI=1/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H, C8H7NO3, ACETOPHENONE, 3-NITRO-, CID8494, C8-H7-N-O3, AR-1J6795, 3-Nitroacetophenone, 98% - 100G 100g, 3-Nitroacetophenone 98% for synthesis 100gm, 123-85-3, 824-94-2,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.148g/mol
Monoisotopic Mass	165.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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