기본 정보
- CAS
477711-22-1- 표준 SMILES
Cn1nc(C(F)(F)F)c(C=NOC(=O)CCl)c1Sc1ccccc1- InChIKey
UDESWYDXZBPEIP-UHFFFAOYSA-N- 분자식
- C14H11ClF3N3O2S
- 평균 분자량
- 377.8 g/mol
- 단동위원소 질량
- 377.02126
이름 및 식별자
- 우선 이름
- [[1-Methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
- IUPAC
- [[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
- 영어명
- 4-(([(2-CHLOROACETYL)OXY]IMINO)METHYL)-1-METHYL-5-(PHENYLSULFANYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
- 분자식
- C14H11ClF3N3O2S
- 분자량
- 377.77
이름 및 동의어
Bionet1_003249[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate4-(([(2-CHLOROACETYL)OXY]IMINO)METHYL)-1-METHYL-5-(PHENYLSULFANYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE1H-Pyrazole-4-carboxaldehyde, 1-methyl-5-(phenylthio)-3-(trifluoromethyl)-, O-(2-chloroacetyl)oxime(E)-{[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}amino 2-chloroacetateN-[(2-chloroacetyl)oxy]-N-{(E)-[1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}amineN-[(2-CHLOROACETYL)OXY]-N-((E)-[1-METHYL-5-(PHENYLSULFANYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]METHYLIDENE)AMINE
데이터베이스 식별자
- CAS
477711-22-1- PubChem CID
- 1473688
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 81.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 461
물리화학적 성질
- 끓는 점
- 450.6 · 450.6±55.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.05 · -3.05±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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