CAS 530-46-1 4-Fluoro-4'-methylbenzophenone (HCID 4729012)

Substructure search Find similar structures

Basic information

CAS: 530-46-1
Standard SMILES: Cc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIKey: SLMBDAUYJQQTRF-UHFFFAOYSA-N
Molecular formula: C14H11FO
Average molar mass: 214.23 g/mol
Monoisotopic mass: 214.07939319

Names & identifiers

Preferred name: 4-Fluoro-4'-methylbenzophenone
IUPAC: (4-fluorophenyl)-(4-methylphenyl)methanone
English name: 4-Fluoro-4'-methylbenzophenone
Molecular formula: C14H11FO
Molecular weight: 214.23

Names & synonyms

530-46-14-FLUORO-4'-METHYLBENZOPHENONEDTXSID50406058RefChem:292835DTXCID20356910(4-Fluorophenyl)(p-tolyl)methanone(4-fluorophenyl)-(4-methylphenyl)methanoneMFCD06290486(4-fluorophenyl)(4-methylphenyl)methanone(4-Fluoro-phenyl)-p-tolyl-methanone4-Fluoro-4'-methylbe4-methyl-4'fluorobenzophenone

Show more names

4-fluoro-4'-methyldibenzenemethyloneMethanone, (4-fluorophenyl)(4-methylphenyl)-

4-methyl-4' fluorobenzophenone4-methyl-4'-fluorobenzophenoneSCHEMBL2966992SCHEMBL9052212SLMBDAUYJQQTRF-UHFFFAOYSA-N(4-fluorophenyl)-(p-tolyl)methanone4-fluorophenyl 4-methylphenyl ketoneAKOS000803712

Database identifiers

CAS: 530-46-1
PubChem CID: 4729012
DTXSID: DTXSID50406058
Nikkaji: J2.195.493D

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 98 · 98-99 °C
Boiling point: 334.8 · 334.8±25.0 °C(Predicted)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
InChI: InChI=1S/C14H11FO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2-9H,1H3
InChIKey: SLMBDAUYJQQTRF-UHFFFAOYSA-N
SMILES: C(C1=CC=C(F)C=C1)(C1=CC=C(C)C=C1)=O