3-Methyl-2-nitrophenyl trifluoromethanesulphonate

HCID 15869552

基本情報

標準SMILES: Cc1cccc(OS(=O)(=O)C(F)(F)F)c1[N+](=O)[O-]
InChIKey: VDOLNKPQOQPEFX-UHFFFAOYSA-N
分子式: C8H6F3NO5S
平均分子量: 285.2 g/mol

名称と識別子

優先名称: 3-Methyl-2-nitrophenyl trifluoromethanesulphonate
IUPAC: (3-methyl-2-nitrophenyl) trifluoromethanesulfonate

名称と別名

145209-21-83-Methyl-2-nitrophenyl trifluoromethanesulphonate2-Nitro-m-tolyl triflate3-Methyl-2-nitrophenyl trifluoromethanesulfonateMFCD25541870(3-methyl-2-nitrophenyl) trifluoromethanesulfonateSCHEMBL5201324Methanesulfonic acid, 1,1,1-trifluoro-, 3-methyl-2-nitrophenyl esterAKOS037655296PS-104063-Methyl-2-nitrophenyltrifluoromethanesulphonate(3-methyl-2-nitro-phenyl) trifluoromethanesulfonate

名称をさらに表示

trifluoromethanesulfonic acid 3-methyl-2-nitrophenyl ester

データベース識別子

PubChem CID: 15869552
Nikkaji: J1.224.445B

物性

構造計算による物性

XLogP: 2.9
極性表面積: 97.6 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 410