CAS Registry Number 1450-76-6
Name:
Ethanone, 1-?(2-?hydroxy-?5-?nitrophenyl)?-
Acetophenone, 2'-hydroxy-5'-nitro- (7CI,8CI)
1-(2-Hydroxy-5-nitrophenyl)ethanone
2-Acetyl-4-nitrophenol
2'-Hydroxy-5'-nitroacetophenone
5'-Nitro-2'-hydroxyacetophenone

Chemical Formula: C8H7NO4
Exact Mass: 181.04
Molecular Weight: 181.15
m/z: 181.04 (100.0%), 182.04 (8.9%), 183.04 (1.2%)

InChI:InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3

InChI Key:LNCBPUWMGYOISS-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O

Specification

98%

1. (4) Hibbs, David E.; Organic & Biomolecular Chemistry 2003, V1(7), P1191-1198 CAPLUS
2. (20) Davies, Ian W.; Journal of Organic Chemistry 2004, V69(4), P1298-1308 CAPLUS