Methyl 2-[3-chloro-4-(trifluoromethylsulfonyloxy)phenyl]acetate

HCID 3564187

기본 정보

표준 SMILES
COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1
InChIKey
LBEJCKAUTFREOZ-UHFFFAOYSA-N
분자식
C10H8ClF3O5S
평균 분자량
332.68 g/mol
단동위원소 질량
331.9733067

이름 및 식별자

우선 이름
Methyl 2-[3-chloro-4-(trifluoromethylsulfonyloxy)phenyl]acetate
IUPAC
methyl 2-[3-chloro-4-(trifluoromethylsulfonyloxy)phenyl]acetate

이름 및 동의어

496856-44-1Methyl 2-[3-chloro-4-(trifluoromethylsulfonyloxy)phenyl]acetatemethyl (3-chloro-4-([(trifluoromethyl)sulfonyl]oxy)phenyl)acetateMethyl 2-(3-chloro-4-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetateMethyl 2-(3-chloro-4-(trifluoromethylsulfonyloxy)phenyl)acetatemethyl (3-chloro-4-{[(trifluoromethyl)sulfonyl]oxy}phenyl)acetateSCHEMBL2125942DB-308167methyl 2-(3-chloro-4-(trifluoromethylsulfonyl-oxy)phenyl)acetatemethyl 2-(3-chloro-4-(trifluoromethylsulfonyloxy)-phenyl)acetate(3-chloro-4-trifluoromethanesulfonyloxy-phenyl)-acetic acid methyl ester

데이터베이스 식별자

PubChem CID
3564187

물성

구조 계산 물성

XLogP
3.1
극성 표면적
78.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
20

관련 반응

6건

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