기본 정보
- CAS
321553-51-9- 표준 SMILES
Cn1nc(C(F)(F)F)c(C=NOC(=O)CCl)c1SCc1ccc(Cl)cc1- InChIKey
IVCWIAMCMWAHHR-UHFFFAOYSA-N- 분자식
- C15H12Cl2F3N3O2S
- 평균 분자량
- 426.2 g/mol
- 단동위원소 질량
- 424.9979377
이름 및 식별자
- 우선 이름
- [[5-[(4-Chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
- IUPAC
- [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
- 영어명
- 4-(([(2-CHLOROACETYL)OXY]IMINO)METHYL)-5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
- 분자식
- C15H12Cl2F3N3O2S
- 분자량
- 426.24
이름 및 동의어
DTXSID901107135[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate5-[[(4-Chlorophenyl)methyl]thio]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde O-(2-chloroacetyl)oxime4-(([(2-CHLOROACETYL)OXY]IMINO)METHYL)-5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLEN-[(2-CHLOROACETYL)OXY]-N-([5-[(4-CHLOROBENZYL)SULFANYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]METHYLENE)AMINE1H-Pyrazole-4-carboxaldehyde, 5-[[(4-chlorophenyl)methyl]thio]-1-methyl-3-(trifluoromethyl)-, O-(2-chloroacetyl)oxime(E)-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylidene]amino 2-chloroacetate
데이터베이스 식별자
- CAS
321553-51-9- PubChem CID
- 1473691
- DTXSID
DTXSID901107135
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 81.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 505
물리화학적 성질
- 끓는 점
- 496.2 · 496.2±55.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.06 · -3.06±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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