3-Nitrobenzanilide

HCID 347755CAS 2243-73-4

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Basic information

Standard SMILES: O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIKey: VWIRWLAPFZXYSL-UHFFFAOYSA-N
Molecular formula: C13H10N2O3
Average molar mass: 242.23 g/mol
Monoisotopic mass: 242.06914218

Names & identifiers

Preferred name: 3-Nitrobenzanilide
IUPAC: 3-nitro-N-phenylbenzamide
English name: 3-NITROBENZANILIDE
Molecular formula: C13H10N2O3
Molecular weight: 242.23

Names & synonyms

3-Nitrobenzanilide2243-73-43-nitro-N-phenylbenzamide3-Nitro-N-phenyl-benzamideBenzamide, 3-nitro-N-phenyl-MFCD00017021NSC406596Oprea1_576478Oprea1_687441(3-nitrophenyl)-N-benzamide3-Nitro-N-(phenyl)benzamideSCHEMBL299879

Show more names

M-NITROBENZANILIDE5-nitrobenzanilide3-Nitro-N-phenylbenzamide,97%

SCHEMBL6031241CHEMBL2002036SCHEMBL30868371DTXSID30945117STL257167AKOS000504161AKOS016034779FN70807

Database identifiers

CAS: 2243-73-4
PubChem CID: 347755
DTXSID: DTXSID30945117
ChEMBL: CHEMBL2002036
Nikkaji: J96.214G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 308

Physicochemical properties

CAS DataBase Reference: 2243 · 2243-73-4
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a