(2-Fluoro-5-nitrophenyl)(phenyl)methanone

HCID 12377535CAS 54534-85-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1F
InChIKey: WVVGJJXQPIOHNV-UHFFFAOYSA-N
Molecular formula: C13H8FNO3
Average molar mass: 245.21 g/mol

Names & identifiers

Preferred name: (2-Fluoro-5-nitrophenyl)(phenyl)methanone
IUPAC: (2-fluoro-5-nitrophenyl)-phenylmethanone

Names & synonyms

(2-fluoro-5-nitrophenyl)(phenyl)methanone54534-85-9RefChem:395849845-651-9(2-fluoro-5-nitrophenyl)-phenylmethanone2-fluoro-5-nitrobenzophenoneSCHEMBL11524668WVVGJJXQPIOHNV-UHFFFAOYSA-NECA53485EN300-333025G40477

Database identifiers

CAS: 54534-85-9
PubChem CID: 12377535
EC Number: 845-651-9

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 323

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.