Methyl 1-(3-chloropyridin-2-yl)-3-{[(methylsulfonyl)oxy]methyl}-1H-pyrazole-5-carboxylate

HCID 58320697

기본 정보

표준 SMILES
COC(=O)c1cc(COS(C)(=O)=O)nn1-c1ncccc1Cl
InChIKey
IPOVQEQJGOGWFT-UHFFFAOYSA-N
분자식
C12H12ClN3O5S
평균 분자량
345.76 g/mol

이름 및 식별자

우선 이름
Methyl 1-(3-chloropyridin-2-yl)-3-{[(methylsulfonyl)oxy]methyl}-1H-pyrazole-5-carboxylate
IUPAC
methyl 1-(3-chloro-2-pyridinyl)-3-(methylsulfonyloxymethyl)pyrazole-5-carboxylate

이름 및 동의어

SCHEMBL384668IPOVQEQJGOGWFT-UHFFFAOYSA-NMethyl 1-(3-chloropyridin-2-yl)-3-{[(methylsulfonyl)oxy]methyl}-1H-pyrazole-5-carboxylatemethyl 2-(3-chloropyridin-2-yl)-5-methane-sulphonyloxymethyl-2H-pyrazole-3-carboxylateMethyl 2-(3-chloropyridin-2-yl)-5-methanesulphonyloxymethyl-2H-pyrazole-3-carboxylate

데이터베이스 식별자

PubChem CID
58320697

물성

구조 계산 물성

XLogP
1.2
극성 표면적
109 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
22

관련 반응

9건

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