2-Pyridinamine, 3-chloro-N-(3-(methylthio)-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-
기본 정보
- CAS
79614-97-4- 표준 SMILES
CSc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]- InChIKey
WYINKYXDUMTESU-UHFFFAOYSA-N- 분자식
- C14H7ClF6N4O4S
- 평균 분자량
- 476.7 g/mol
- 단동위원소 질량
- 475.9780726
이름 및 식별자
- 우선 이름
- 2-Pyridinamine, 3-chloro-N-(3-(methylthio)-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-
- IUPAC
- 3-chloro-N-[3-methylsulfanyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
- 영어명
- 3-chloro-N-[3-methylsulfanyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-5- (trifluoromethyl)pyridin-2-amine
- 분자식
- C14H7ClF6N4O4S
- 분자량
- 0
이름 및 동의어
79614-97-42-Pyridinamine, 3-chloro-N-(3-(methylthio)-2,6-dinitro-4-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-3-chloro-N-[3-methylsulfanyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amineCHEMBL2268591DTXSID402298143-Chloro-N-[3-(methylsulfanyl)-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine3-chloro-N-[3-methylsulfanyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-5- (trifluoromethyl)pyridin-2-amine
데이터베이스 식별자
- CAS
79614-97-4- PubChem CID
- 157556
- DTXSID
DTXSID40229814- ChEMBL
CHEMBL2268591
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 646
관련 반응
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