C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-]
CAS: 610-14-0
Name: 2-nitrobenzoyl chloride
SMILES: C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H4ClNO3
Molecular weight
185.57
Exact mass
184.988
XLogP
1.97
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
Molar refractivity
43.28

Supplementary Information

InChIKey: BWWHTIHDQBHTHP-UHFFFAOYSA-N
Synonyme
2-Nitrobenzoyl chlorideO-NITROBENZOYL CHLORIDEBenzoyl chloride, 2-nitro-CCRIS 3135DTXSID4025741o-nitrobenzoic acid chlorideEINECS 210-206-4UNII-86W2G0JA5QBRN 077799186W2G0JA5QDTXCID505741NITROBENZOYL CHLORIDE, O-4-09-00-01049 (Beilstein Handbook Reference)RefChem:887142-nitro benzoyl chlorideORTHO-NITROBENZOYL CHLORIDE2-NITROBENZOIC ACID, CHLORIDEBWWHTIHDQBHTHP-UHFFFAOYSA-N610-14-0Benzoyl chloride, o-nitro-MFCD00007131Nitrobenzoyl chloride2-Nitrobenzoylchloride2-nitro-benzoyl chlorideSCHEMBL1036442-Nitrobenzoyl chloride, 97%CHEMBL1897082Tox21_200340SBB063100AKOS005259174
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