기본 정보
- CAS
21016-00-2- 표준 SMILES
COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N=NC1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C(=O)O- InChIKey
XWBRDSPQNJLYFS-UHFFFAOYSA-N- 분자식
- C20H20N4O13S3
- 평균 분자량
- 620.6 g/mol
- 단동위원소 질량
- 620.01890023
이름 및 식별자
- 우선 이름
- 4,5-Dihydro-4-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
- 영어명
- 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
- 분자식
- C20H20N4O13S3
- 분자량
- 620.59
이름 및 동의어
21016-00-24,5-Dihydro-4-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid4,5-Dihydro-4-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acidRefChem:2854154,5-Dihydro-4-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acidEINECS 244-146-54,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acidXWBRDSPQNJLYFS-UHFFFAOYSA-NDTXSID201101417NS000521544,5-Dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 281 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,340
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-5-oxo-1-(4-sulfophenyl)-
Other Safety InformationIMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-5-oxo-1-(4-sulfophenyl)-: Human health tier I assessment
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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