4-(1,3-Dioxoisoindolin-2-yl)butanoyl chloride

HCID 594886CAS 10314-06-4

基本情報

標準SMILES: O=C(Cl)CCCN1C(=O)c2ccccc2C1=O
InChIKey: STXHPGKNMJVJKL-UHFFFAOYSA-N
分子式: C12H10ClNO3
平均分子量: 251.66 g/mol
単同位体質量: 251.0349209

名称と識別子

優先名称: 4-(1,3-Dioxoisoindolin-2-yl)butanoyl chloride
IUPAC: 4-(1,3-dioxoisoindol-2-yl)butanoyl chloride
英語名: 1-(2-PhthaliMidobutanoyl)chloride
分子式: C12H10ClNO3
分子量: 251.67

名称と別名

10314-06-41-(2-Phthalimidobutyryl)chloride4-(1,3-dioxoisoindolin-2-yl)butanoyl chlorideN-(4-Chloro-4-oxobutyl)phthalimide4-(1,3-dioxoisoindol-2-yl)butanoyl chloride1-(2-PhthaliMidobutanoyl)chlorideMFCD02656536N,N-Phthaloyl-GABA chloride4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl chloride4-phthalimidobutyryl chlorideSCHEMBL922425gamma-phthalimidobutyryl chloride

名称をさらに表示

1-(2-Phthalimidobutyryl)chloride - [P1003]1,3-Dihydro-1,3-dioxo-2H-isoindol-2-butanoyl chloride1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanoyl chloride2H-Isoindole-2-butanoyl chloride, 1,3-dihydro-1,3-dioxo-

DTXSID003441784-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl chlorideSBB001831AKOS015946050AT29531SB64111DA-16125NS-03754

データベース識別子

CAS: 10314-06-4
PubChem CID: 594886
DTXSID: DTXSID00344178
EC Number: 808-915-4
Nikkaji: J2.569.709J

物性

構造計算による物性

XLogP: 2.3
極性表面積: 54.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 332

物理化学的性質

外見: solid
InChI: 1S/C12H10ClNO3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2
InChIKey: STXHPGKNMJVJKL-UHFFFAOYSA-N
SMILES: ClC(=O)CCCN1C(=O)c2c(cccc2)C1=O