O=C(CBr)c1ccc([N+](=O)[O-])cc1
CAS: 99-81-0
Name: 2-bromo-1-(4-nitrophenyl)ethanone
SMILES: O=C(CBr)c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C8H6BrNO3
Molecular weight
244.04
Exact mass
242.9531
XLogP
2.17
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
51.22

Supplementary Information

InChIKey: MBUPVGIGAMCMBT-UHFFFAOYSA-N
Synonyme
2-Bromo-4'-nitroacetophenone99-81-02-Bromo-1-(4-nitrophenyl)ethanone4-Nitrophenacyl bromidep-Nitrophenacyl bromidealpha-Bromo-p-nitroacetophenone4'-Nitro-2-bromoacetophenone2-Bromo-p-nitroacetophenoneAcetophenone, 2-bromo-4'-nitro-NSC-98058NDY44R4NWDTXSID9059202RefChem:909675DTXCID9049112202-789-92-bromo-1-(4-nitrophenyl)ethan-1-oneEthanone, 2-bromo-1-(4-nitrophenyl)-alpha-Bromo-4-nitroacetophenone2-bromo-4-nitroacetophenoneMFCD00007356Acetophenone, 2'-bromo-p-nitro-NSC 98052-Bromo-1-(4-nitro-phenyl)-ethanone2-bromo-4'-nitro acetophenoneCHEMBL106072.alpha.-Bromo-p-nitroacetophenone.omega.-Bromo-p-nitroacetophenonep-Nitro-.alpha.-bromoacetophenone.alpha.-Bromo-4-nitroacetophenone2-bromo-1-(4-nitrophenyl)-ethanone
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