{7-Nitro-8-[1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate

HCID 73852422

기본 정보

표준 SMILES
CC=Cc1c([N+](=O)[O-])ccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)CO2
InChIKey
NPGARMBHJPKCHM-UHFFFAOYSA-N
분자식
C19H19NO7S
평균 분자량
405.4 g/mol

이름 및 식별자

우선 이름
{7-Nitro-8-[1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate
IUPAC
(6-nitro-5-prop-1-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate

이름 및 동의어

{7-Nitro-8-[1-propenyl]-2.3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate{7-Nitro-8-[1-propenyl]-2.3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonateSCHEMBL4362808NPGARMBHJPKCHM-UHFFFAOYSA-N{7-Nitro-8-[-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl4-methylbenzenesulfonate{7-Nitro-8-[1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate{7-Nitro-8-[1-propenyl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl4-methylbenzenesulfonate{7-Nitro-8-[1-propenyl]-2,3-dihydro-1.4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate{7-Nitro-8-[1-propenyl]-2.3-dihydro-1.4-benzodioxin-2-yl}methyl 4-methylbenzenesulfonate

데이터베이스 식별자

PubChem CID
73852422

물성

구조 계산 물성

XLogP
3.9
극성 표면적
116 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
28

관련 반응

29건

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