5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

HCID 21100306

기본 정보

CAS
845616-73-1
표준 SMILES
CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)O)C(F)(F)F
InChIKey
KAFINIUNMPCGFL-UHFFFAOYSA-N
분자식
C11H11F3O5S
평균 분자량
312.26 g/mol
단동위원소 질량
312.02792911

이름 및 식별자

우선 이름
5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid
IUPAC
5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid

이름 및 동의어

845616-73-15-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)benzoic acidBenzoic acid, 5-(methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)-SCHEMBL620281(S)-5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acidDTXSID601167401AKOS0407689945-(Methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid5-Methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid?5-(Methanesulfonyl)-2-[(1,1,1-trifluoropropan-2-yl)oxy]benzoic acid5-(Methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)benzoic acid
이름 더 보기
rac-5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoic acid

데이터베이스 식별자

CAS
845616-73-1
PubChem CID
21100306
DTXSID
DTXSID601167401

물성

구조 계산 물성

XLogP
2.2
극성 표면적
89.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
20

관련 반응

44건

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