기본 정보
- CAS
263699-81-6- 표준 SMILES
CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(C(F)(F)F)C1- InChIKey
NHEYTULEWIQYGS-UHFFFAOYSA-N- 분자식
- C12H10ClF3N2O2
- 평균 분자량
- 306.67 g/mol
- 단동위원소 질량
- 306.0382897
이름 및 식별자
- 우선 이름
- 1-(4-Chlorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- IUPAC
- (4-chlorophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
- 영어명
- 1-(4-chlorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- 분자식
- C12H10ClF3N2O2
- 분자량
- 306.67
이름 및 동의어
(4-chlorophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone1-(4-Chlorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olNHEYTULEWIQYGS-UHFFFAOYSA-N(4-chlorophenyl)(5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone(4-chlorophenyl)[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanoneCCG-18608STK422076AKOS000610547AKOS022163820ST50299524AB00084240-01AK-968/40012255
이름 더 보기
Methanone, (4-chlorophenyl)[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-
2-Pyrazolin-5-ol,1-(4-chlorobenzoyl)-5-trifluoromethyl-3-methyl-4-chlorophenyl 5-hydroxy-3-methyl-5-(trifluoromethyl)(2-pyrazolinyl) ketone1-(4-Chlorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol #263699-81-6
데이터베이스 식별자
- CAS
263699-81-6- PubChem CID
- 587348
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 52.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 433
물리화학적 성질
- 끓는 점
- 385.7 · 385.7±52.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.01 · 9.01±0.40(Predicted)
화학 및 산업
공급사3 곳
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