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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178613402Generated: November 3, 2026

2-(5-Bromo-2-nitrophenyl)acetonitrile

2-(5-bromo-2-nitrophenyl)acetonitrile

https://huagongshe.com/en/chemical/178613402

2-(5-Bromo-2-nitrophenyl)acetonitrile molecular structure

Identifiers & Physical Properties

CAS No.125914-22-9
Molecular formulaC8H5BrN2O2
Average molar mass241.04 g/mol
Monoisotopic mass239.95344 g/mol
SMILESN#CCc1cc(Br)ccc1[N+](=O)[O-]
InChIKeyZHTDHZRKDAFUFR-UHFFFAOYSA-N
PubChem CID24212923

Chemical & Physical Properties

XLogP2.1
Topological polar surface area69.6
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms13
Formal charge0
Complexity242
Customs code2926907090

Safety & Regulations

Customs code2926907090