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CAS Number: 127413-59-6
1-(3-bromo-5-nitrophenyl)ethanone

Structure

1-(3-bromo-5-nitrophenyl)ethanone
Name: 1-(3-bromo-5-nitrophenyl)ethanone
Synonyms:
General Information
Product Number: 127413596

CAS Registry Number 127413-59-6
Name:
Ethanone, 1-​(3-​bromo-​5-​nitrophenyl)​-
3'-Bromo-5'-nitroacetophenone

 

Chemical Formula: C8H6BrNO3
Exact Mass: 242.95
Molecular Weight: 244.04
m/z: 242.95 (100.0%), 244.95 (97.3%), 243.96 (8.8%), 245.95 (8.8%)

 

InChI:InChI=1S/C8H6BrNO3/c1-5(11)6-2-7(9)4-8(3-6)10(12)13/h2-4H,1H3

InChI Key:KMNMBNPBERMCLJ-UHFFFAOYSA-N

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

Specification

98%

References
  1. (1) Wiehn, Matthias S.; Journal of Combinatorial Chemistry 2009, V11(6), P982-1006 CAPLUS
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