Ethyl 4-((5-((2-(acetoxy)ethyl)sulphonyl)-2-methoxyphenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
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기본 정보
- CAS
85409-55-8- 표준 SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1N=Nc1cc(S(=O)(=O)CCOC(C)=O)ccc1OC- InChIKey
SUNYAGHCOLNIAY-UHFFFAOYSA-N- 분자식
- C23H24N4O8S
- 평균 분자량
- 516.5 g/mol
- 단동위원소 질량
- 516.13148491
이름 및 식별자
- 우선 이름
- Ethyl 4-((5-((2-(acetoxy)ethyl)sulphonyl)-2-methoxyphenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-[[5-(2-acetyloxyethylsulfonyl)-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
- 영어명
- ethyl 4-[[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
- 분자식
- C23H24N4O8S
- 분자량
- 516.52
이름 및 동의어
85409-55-8EINECS 287-125-6Ethyl 4-((5-((2-(acetoxy)ethyl)sulphonyl)-2-methoxyphenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylateSUNYAGHCOLNIAY-UHFFFAOYSA-NDTXSID701104173NS00065989Ethyl 4-[2-[5-[[2-(acetyloxy)ethyl]sulfonyl]-2-methoxyphenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylateethyl 4-[[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate4-[[5-[[2-(Acetyloxy)ethyl]sulfonyl]-2-methoxyphenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[[2-(acetyloxy)ethyl]sulfonyl]-2-methoxyphenyl]diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
데이터베이스 식별자
- CAS
85409-55-8- PubChem CID
- 3020691
- DTXSID
DTXSID701104173- EC Number
- 287-125-6
- Nikkaji
- J333.139C
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 971
물리화학적 성질
- 끓는 점
- 684.2 · 684.2±65.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.87 · -1.87±0.70(Predicted)
관련 반응
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