기본 정보
- CAS
24886-39-3- 표준 SMILES
CC1=NN(c2cccc(Cl)c2)C(=O)C1N=Nc1cc(S(C)(=O)=O)ccc1O- InChIKey
DFFCGGPSQUCANU-UHFFFAOYSA-N- 분자식
- C17H15ClN4O4S
- 평균 분자량
- 406.8 g/mol
- 단동위원소 질량
- 406.0502538
이름 및 식별자
- 우선 이름
- 2-(3-Chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-5-methyl-3h-pyrazol-3-one
- IUPAC
- 2-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-5-methyl-4H-pyrazol-3-one
- 영어명
- 2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-5-methyl-3H-pyrazol-3-one
- 분자식
- C17H15ClN4O4S
- 분자량
- 406.85
이름 및 동의어
24886-39-32-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-5-methyl-3h-pyrazol-3-one2-(3-Chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-(methylsulphonyl)phenyl)azo)-5-methyl-3H-pyrazol-3-oneEINECS 246-514-0DFFCGGPSQUCANU-UHFFFAOYSA-NDTXSID701109604NS000509042-(3-Chlorophenyl)-2,4-dihydro-4-[2-[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl]-5-methyl-3H-pyrazol-3-one2-(3-Chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulfonyl)phenyl]azo]-5-methyl-3H-pyrazol-3-one3H-Pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[2-[2-hydroxy-5-(methylsulfonyl)phenyl]diazenyl]-5-methyl-
데이터베이스 식별자
- CAS
24886-39-3- PubChem CID
- 91240
- DTXSID
DTXSID701109604- EC Number
- 246-514-0
- Nikkaji
- J286.414B
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 끓는 점
- 691.805 · 691.805±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.518 · 1.518±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 6.437 · 6.437±0.48(predicted)
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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