기본 정보
- CAS
331868-94-1- 표준 SMILES
CC1=NN(C(=O)c2ccc(I)cc2)C(O)(C(F)(F)F)C1- InChIKey
KECCPHVEIVZZDY-UHFFFAOYSA-N- 분자식
- C12H10F3IN2O2
- 평균 분자량
- 398.12 g/mol
이름 및 식별자
- 우선 이름
- 1-(4-Iodobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- IUPAC
- [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
- 영어명
- 1-(4-iodobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- 분자식
- C12H10F3IN2O2
- 분자량
- 398.12
이름 및 동의어
1-(4-Iodobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olKECCPHVEIVZZDY-UHFFFAOYSA-N(5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(4-iodophenyl)methanone[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-iodophenyl)methanoneSTK191538AKOS000593696AKOS022079019[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanoneAG-690/11665061SR-01000313226SR-01000313226-1(5-Hydroxy-3-methyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-(4-iodo-phenyl)-methanone
이름 더 보기
Methanone, [4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl](4-iodophenyl)-
1-(4-Iodobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol #
데이터베이스 식별자
- CAS
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
- 416.7 · 416.7±55.0 °C(Predicted)
- 밀도
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.06 · 9.06±0.40(Predicted)
화학 및 산업
공급사3 곳
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