기본 정보
- CAS
318959-25-0- 표준 SMILES
Cn1nc(C(F)(F)F)c(CS(=O)(=O)Cc2ccccc2Cl)c1Oc1ccc(Cl)cc1Cl- InChIKey
ZHEUWTFBHHDGCG-UHFFFAOYSA-N- 분자식
- C19H14Cl3F3N2O3S
- 평균 분자량
- 513.7 g/mol
- 단동위원소 질량
- 511.974281
이름 및 식별자
- 우선 이름
- 2-chlorobenzyl [5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl sulfone
- IUPAC
- 4-[(2-chlorophenyl)methylsulfonylmethyl]-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole
- 영어명
- 2-CHLOROBENZYL [5-(2,4-DICHLOROPHENOXY)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]METHYL SULFONE
- 분자식
- C19H14Cl3F3N2O3S
- 분자량
- 513.75
이름 및 동의어
318959-25-02-chlorobenzyl [5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl sulfone4-[(2-chlorophenyl)methylsulfonylmethyl]-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole4-{[(2-chlorophenyl)methanesulfonyl]methyl}-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazoleAKOS0050960896K-332S4-(((2-Chlorobenzyl)sulfonyl)methyl)-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole4-([(2-CHLOROBENZYL)SULFONYL]METHYL)-5-(2,4-DICHLOROPHENOXY)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE4-{[(2-chlorobenzyl)sulfonyl]methyl}-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
데이터베이스 식별자
- CAS
318959-25-0- PubChem CID
- 4561650
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 69.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 710
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