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
- 형식 전하
- 0
- 복잡도
- 445
관련 반응
6건
화합물 노트
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