2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one
기본 정보
- CAS
339018-19-8- 표준 SMILES
O=c1n(-c2ccc(OC(F)(F)F)cc2)cnn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
DQSBRTLBMJHWAC-UHFFFAOYSA-N- 분자식
- C16H7F6N5O6
- 평균 분자량
- 479.25 g/mol
이름 및 식별자
- 우선 이름
- 2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one
- IUPAC
- 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one
- 영어명
- 2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
- 분자식
- C16H7F6N5O6
- 분자량
- 479.25
이름 및 동의어
339018-19-82-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one2-(2,6-Dinitro-4-(trifluoromethyl)phenyl)-4-(4-(trifluoromethoxy)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneAKOS0051010887N-0033H-1,2,4-Triazol-3-one, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,4-dihydro-4-[4-(trifluoromethoxy)phenyl]-
데이터베이스 식별자
- CAS
339018-19-8
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 780
관련 반응
0건
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