기본 정보
- CAS
318289-12-2- 표준 SMILES
Cn1nc(-c2ccccc2)c(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1S(=O)(=O)c1ccc(Cl)cc1- InChIKey
PJTCVOUJJHKTJC-UHFFFAOYSA-N- 분자식
- C26H17ClF6N2O4S
- 평균 분자량
- 602.9 g/mol
이름 및 식별자
- 우선 이름
- [5-(4-Chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate
- IUPAC
- [5-(4-chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate
- 영어명
- (5-[(4-CHLOROPHENYL)SULFONYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL 3,5-BIS(TRIFLUOROMETHYL)BENZENECARBOXYLATE
- 분자식
- C26H17ClF6N2O4S
- 분자량
- 602.93
이름 및 동의어
318289-12-2[5-(4-chlorophenyl)sulfonyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoate{5-[(4-chlorophenyl)sulfonyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 3,5-bis(trifluoromethyl)benzenecarboxylate[5-(4-chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 3,5-bis(trifluoromethyl)benzoateAKOS0050947825K-308S[5-(4-chlorobenzenesulfonyl)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl3,5-bis(trifluoromethyl)benzoate(5-[(4-CHLOROPHENYL)SULFONYL]-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL 3,5-BIS(TRIFLUOROMETHYL)BENZENECARBOXYLATEBenzoic acid, 3,5-bis(trifluoromethyl)-, [5-[(4-chlorophenyl)sulfonyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl ester
데이터베이스 식별자
- CAS
318289-12-2
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 955
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