AG003GA5

577-59-3 | 2'-Nitroacetophenone

AG003GA5

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WARNING This product is not for human or veterinary use.

CAS Number	577-59-3
Catalog Number	AG003GA5(AGN-PC-0WA711)
Chemical Name	2'-Nitroacetophenone
EC Number	209-414-8
IUPAC Name	1-(2-nitrophenyl)ethanone
InChI	InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
InChI Key	SUGXZLKUDLDTKX-UHFFFAOYSA-N
MDL Number	MFCD00007144
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
NSC Number	3641
SMILES	C1=CC=CC(=C1C(C)=O)[N+](=O)[O-]
UNII	52L53K4X3O
Synonyms	2'-Nitroacetophenone, 577-59-3, 1-(2-Nitrophenyl)ethanone, O-NITROACETOPHENONE, 2-Acetylnitrobenzene, Ethanone, 1-(2-nitrophenyl)-, Acetophenone, 2'-nitro-, Methyl 2-nitrophenyl ketone, UNII-52L53K4X3O, CCRIS 2329, 1-(2-Nitrophenyl)ethan-1-one, NSC 3641, EINECS 209-414-8, MFCD00007144, BRN 1102322, Ethanone, 1-(nitrophenyl)-, SUGXZLKUDLDTKX-UHFFFAOYSA-N, 52L53K4X3O, o-Nitroacetophenone, 95%, 36812-06-3, o-nitroacetophenon, NSC3641, 2;-Nitroacetophenone, PubChem10700, 1-acetyl-2-nitrobenzene, AC1Q1JEU, DSSTox_CID_5723, o-Nitrophenyl methyl ketone, AC1L1X5P, DSSTox_RID_77892, 1-(2-nitrophenyl)-ethanone, DSSTox_GSID_25723, 2'-Nitroacetophenone, 95%, 4-07-00-00655 (Beilstein Handbook Reference), MLS002415763, SCHEMBL334763, 1-(2-nitro-phenyl)-ethanone, ACMC-209m08, CHEMBL1881120, DTXSID6025723, SCHEMBL14438210, CTK1B6074, KS-00000ORG, ACT00694, NSC-3641, STR04123, ZINC1666914, Tox21_200072, AN-928, ANW-32790, AKOS000120648, AC-2890, CS-W017892, LS-1406, LS10730, MCULE-5017248906, PS-3008, RP22781, TRA0004884, NCGC00091366-01, NCGC00091366-02, NCGC00257626-01, AJ-29053, AK-54010, BR-54010, CAS-577-59-3, CJ-27007, SC-13246, SMR001261211, ST082239, SY003270, DB-014161, ST2408538, TC-121535, FT-0613171, N0110, 2 inverted exclamation mark -Nitroacetophenone, MFCD00007144 (97%), 77N593, M-6895, W-105443, F0001-1504, InChI=1/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H, 2-Nitroacetophenone, 1-Ethanoyl-2-nitrobenzol, 2-Nitro-1-phenylethanone, C8H7NO3, C8-H7-N-O3, CID11346, 2'-Nitroacetophenone, 98% - 10G 10g, A8223,

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	1.3

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