기본 정보
- CAS
162011-83-8- 표준 SMILES
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2)cc1- InChIKey
INRQTVDUZFESAO-UHFFFAOYSA-N- 분자식
- C17H12F2O4S
- 평균 분자량
- 350.3 g/mol
- 단동위원소 질량
- 350.04243636
개요
structure given in first source
이름 및 식별자
- 우선 이름
- MF-tricyclic
- IUPAC
- 4-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
- 영어명
- 3-(3,4-Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
- 분자식
- C17H12F2O4S
- 분자량
- 350.34
이름 및 동의어
MF-tricyclic162011-83-8MF Tricyclic3-(3,4-Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanoneMerck Frosst TricyclicDTXSID301672913-(3,4-difluorophenyl)4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanoneRefChem:92256DTXCID90897824-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one3-(3,4-Difluorophenyl)-4-(4-Methylsulfonylphenyl)-5H-Furan-2-OneCHEMBL18264
이름 더 보기
2(5H)-Furanone, 3-(3,4-difluorophenyl)-4-[4-(methylsulfonyl)phenyl]-
INRQTVDUZFESAO-UHFFFAOYSA-NSCHEMBL2159864BDBM500786882(5H)-Furanone, 3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-3 -(3,4- Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one3-(3,4-Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone3-(3,4-difluorophenyl)-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one
데이터베이스 식별자
- CAS
162011-83-8- PubChem CID
- 127923
- DTXSID
DTXSID30167291- ChEMBL
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 68.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 629
물리화학적 성질
- 끓는 점
- 575.8 · 575.8±50.0 °C(Predicted)
- 밀도
- 1.435 · 1.435±0.06 g/cm3(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
공급사1 곳
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