기본 정보
- CAS
15824-23-4- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc(C)cc([N+](=O)[O-])c1O- InChIKey
KWJWDVPQMWEOCJ-UHFFFAOYSA-N- 분자식
- C17H15N5O4
- 평균 분자량
- 353.33 g/mol
- 단동위원소 질량
- 353.11240398
이름 및 식별자
- 우선 이름
- 4-[(6-Hydroxy-5-nitro-M-tolyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one
- IUPAC
- 4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
- 영어명
- 4-[(6-hydroxy-5-nitro-m-tolyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one
- 분자식
- C17H15N5O4
- 분자량
- 353.33
이름 및 동의어
15824-23-44-[(6-HYDROXY-5-NITRO-M-TOLYL)AZO]-3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one4-((6-Hydroxy-5-nitro-m-tolyl)azo)-3-methyl-1-phenyl-2-pyrazolin-5-oneEINECS 239-922-5KWJWDVPQMWEOCJ-UHFFFAOYSA-NDTXSID601117501NS000535922,4-Dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-3H-pyrazol-3-one4-[(2-Hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one4-[(2-Hydroxy-3-nitro-5-methylphenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-2-phenyl-
데이터베이스 식별자
- CAS
15824-23-4- PubChem CID
- 85912
- DTXSID
DTXSID601117501- EC Number
- 239-922-5
- Nikkaji
- J248.780B
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 611
물리화학적 성질
- 끓는 점
- 560.4 · 560.4±50.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.65 · 5.65±0.40(Predicted)
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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