Methyl 2-(3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl)acetate

HCID 59627703

기본 정보

CAS
1259022-71-3
표준 SMILES
COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1
InChIKey
GYMTWFOUJTXQLN-UHFFFAOYSA-N
분자식
C10H8F4O5S
평균 분자량
316.23 g/mol
단동위원소 질량
316.00285724

이름 및 식별자

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

이름 및 동의어

methyl 2-(3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl)acetate1259022-71-3methyl 2-[3-fluoro-4-(trifluoromethylsulfonyloxy)phenyl]acetateSCHEMBL2126108SCHEMBL30154424DTXSID001137979DB-297787Methyl {3-fluoro-4-[(trifluoromethanesulfonyl)oxy]phenyl}acetatemethyl 2-(3-fluoro-4-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetateBenzeneacetic acid, 3-fluoro-4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

데이터베이스 식별자

CAS
1259022-71-3
PubChem CID
59627703
DTXSID
DTXSID001137979

물성

구조 계산 물성

XLogP
2.6
극성 표면적
78.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
5
무거운 원자 수
20

관련 반응

5건

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