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

基本情報

CAS: 530-46-1
標準SMILES: Cc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIKey: SLMBDAUYJQQTRF-UHFFFAOYSA-N
分子式: C14H11FO
平均分子量: 214.23 g/mol
単同位体質量: 214.07939319

名称と識別子

優先名称: 4-Fluoro-4'-methylbenzophenone
IUPAC: (4-fluorophenyl)-(4-methylphenyl)methanone
現地名: 4-フルオロ-4’メチルベンゾフェノン
英語名: 4-Fluoro-4'-methylbenzophenone
分子式: C14H11FO
分子量: 214.23

名称と別名

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

名称をさらに表示

4-フルオロ-4’メチルベンゾフェノン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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.7
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 235

物理化学的性質

融点: 98 · 98-99 °C
沸点: 334.8 · 334.8±25.0 °C(Predicted)
比重(密度): 1.139 · 1.139±0.06 g/cm3(Predicted)
貯蔵温度: 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