기본 정보
- CAS
6387-17-3- 표준 SMILES
CC1=NN(c2c(C)cc(S(=O)(=O)O)cc2Cl)C(=O)C1- InChIKey
QENFKLWBWWDGLL-UHFFFAOYSA-N- 분자식
- C11H11ClN2O4S
- 평균 분자량
- 302.73 g/mol
- 단동위원소 질량
- 302.0128057
이름 및 식별자
- 우선 이름
- 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
- IUPAC
- 3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
- 영어명
- 5-chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
- 분자식
- C11H11ClN2O4S
- 분자량
- 302.73
이름 및 동의어
6387-17-35-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid3-Chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid3-chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acidBenzenesulfonic acid, 3-chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methyl-3-Chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methylbenzenesulfonic acidEINECS 228-991-7V9M2JD54URDTXSID90213384QENFKLWBWWDGLL-UHFFFAOYSA-NALBB-020673
이름 더 보기
1-(2-methyl-4-sulfo-6-chlorophenyl)-3-methyl-5-pyrazolone1-(6-Chloro-2-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one1-(2-Chloro-6-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one3-chloro-4-(5-keto-3-methyl-4H-pyrazol-1-yl)-5-methyl-benzenesulfonic acid1-(2-Chloro-6-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one5-Chloronaphthyl-
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 513
물리화학적 성질
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.82 · -0.82±0.50(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사4 곳
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