3-bromo-N-(4-nitrophenyl)benzamide

HCID 4623909

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Basic information

CAS: 349405-35-2
Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1
InChIKey: ZQSCAZHDTDRRBO-UHFFFAOYSA-N
Molecular formula: C13H9BrN2O3
Average molar mass: 321.13 g/mol
Monoisotopic mass: 319.97965

Names & identifiers

Preferred name: 3-bromo-N-(4-nitrophenyl)benzamide
IUPAC: 3-bromo-N-(4-nitrophenyl)benzamide

Names & synonyms

3-bromo-N-(4-nitrophenyl)benzamideSCHEMBL3817483DTXSID601286504STK412575AKOS002970590Benzamide, 3-bromo-N-(4-nitrophenyl)-349405-35-2ST50916447(3-bromophenyl)-N-(4-nitrophenyl)carboxamide

Database identifiers

CAS: 349405-35-2
PubChem CID: 4623909
DTXSID: DTXSID601286504

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 337

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