기본 정보
- CAS
956755-67-2- 표준 SMILES
Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(Cl)cc2)c1SCc1ccc(Cl)cc1- InChIKey
HJHGPIRXJHUPKV-UHFFFAOYSA-N- 분자식
- C20H15Cl2F3N2O2S
- 평균 분자량
- 475.3 g/mol
이름 및 식별자
- 우선 이름
- [5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 4-chlorobenzenecarboxylate
- IUPAC
- [5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate
- 영어명
- [5-[(4-Chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 4-chlorobenzenecarboxylate
- 분자식
- C20H15Cl2F3N2O2S
- 분자량
- 475.31
이름 및 동의어
956755-67-2[5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 4-chlorobenzenecarboxylate(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl 4-chlorobenzoate[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoateAKOS0050923775G-386S(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl4-chlorobenzoateBenzoic acid, 4-chloro-, [5-[[(4-chlorophenyl)methyl]thio]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl ester
데이터베이스 식별자
- CAS
956755-67-2
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 571
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