기본 정보
- 표준 SMILES
Cn1nc(C(F)(F)F)c(CS(=O)C2=NOC(C)(C)C2)c1OC(F)F- InChIKey
GXLGHGJWHZVKAD-UHFFFAOYSA-N- 분자식
- C12H14F5N3O3S
- 평균 분자량
- 375.32 g/mol
이름 및 식별자
- 우선 이름
- 3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethanesulfinyl)-5,5-dimethyl-2-isoxazoline
- IUPAC
- 3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfinyl]-5,5-dimethyl-4H-1,2-oxazole
이름 및 동의어
3-(5-difluoromethoxy-1-methyl-3-trifluoromethyl-1H-pyrazole-4-ylmethanesulfinyl)-5,5-dimethyl-2-isoxazoline656825-93-3SCHEMBL2724520EBC-13493Z34797200333-(((5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)sulfinyl)-5,5-dimethyl-4,5-dihydroisoxazoleracemic 3-({[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}sulfinyl)-5,5-dimethyl-4,5-dihydroisoxazole
데이터베이스 식별자
- PubChem CID
- 23075679
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 84.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 529
관련 반응
2건
화합물 노트
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