기본 정보
- CAS
318469-51-1- 표준 SMILES
Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccc(Cl)cc2)c1S(=O)(=O)Cc1ccc(Cl)cc1- InChIKey
BYGQFXVOGUZLHL-UHFFFAOYSA-N- 분자식
- C20H16Cl2F3N3O4S
- 평균 분자량
- 522.3 g/mol
- 단동위원소 질량
- 521.019067
이름 및 식별자
- 우선 이름
- [5-[(4-chlorobenzyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate
- IUPAC
- [5-[(4-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate
- 영어명
- [5-[(4-CHLOROBENZYL)SULFONYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]METHYL N-(4-CHLOROPHENYL)CARBAMATE
- 분자식
- C20H16Cl2F3N3O4S
- 분자량
- 522.32
이름 및 동의어
318469-51-1[5-[(4-chlorobenzyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate{5-[(4-chlorophenyl)methanesulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl N-(4-chlorophenyl)carbamate[5-[(4-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamateAKOS0050923485G-430S{5-[(4-chlorophenyl)methanesulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylN-(4-chlorophenyl)carbamateCarbamic acid, (4-chlorophenyl)-, [5-[[(4-chlorophenyl)methyl]sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl ester (9CI)
데이터베이스 식별자
- CAS
318469-51-1- PubChem CID
- 1478830
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 98.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 767
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…