ethyl 1-{4-[5-(2,4-dichlorophenyl)-2-furyl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
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기본 정보
- CAS
956502-04-8- 표준 SMILES
CCOC(=O)c1cnn(-c2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cs2)c1C(F)(F)F- InChIKey
HDGJJLOYPHQUMM-UHFFFAOYSA-N- 분자식
- C20H12Cl2F3N3O3S
- 평균 분자량
- 502.3 g/mol
- 단동위원소 질량
- 500.9928523
이름 및 식별자
- 우선 이름
- ethyl 1-{4-[5-(2,4-dichlorophenyl)-2-furyl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
- 영어명
- ETHYL 1-(4-[5-(2,4-DICHLOROPHENYL)-2-FURYL]-1,3-THIAZOL-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
- 분자식
- C20H12Cl2F3N3O3S
- 분자량
- 502.29
이름 및 동의어
956502-04-8ethyl 1-{4-[5-(2,4-dichlorophenyl)-2-furyl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl 1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylateethyl 1-{4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateAKOS0050894693T-0011Ethyl 1-(4-(5-(2,4-dichlorophenyl)furan-2-yl)thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl1-{4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateETHYL 1-(4-[5-(2,4-DICHLOROPHENYL)-2-FURYL]-1,3-THIAZOL-2-YL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE1H-Pyrazole-4-carboxylic acid, 1-[4-[5-(2,4-dichlorophenyl)-2-furanyl]-2-thiazolyl]-5-(trifluoromethyl)-, ethyl ester
데이터베이스 식별자
- CAS
956502-04-8- PubChem CID
- 4318317
물성
구조 계산 물성보충 중
- XLogP
- 6.1
- 극성 표면적
- 98.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 680
물리화학적 성질
- 끓는 점
- 596.6 · 596.6±60.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.53 · -1.53±0.10(Predicted)
관련 반응
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