ethyl 3,5-dimethyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-1H-pyrazole-4-carboxylate
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기본 정보
- CAS
956938-60-6- 표준 SMILES
CCOC(=O)c1c(C)nn(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C- InChIKey
ZCVXDSYJAYDTSD-UHFFFAOYSA-N- 분자식
- C15H17N3O6S
- 평균 분자량
- 367.4 g/mol
- 단동위원소 질량
- 367.08380644
이름 및 식별자
- 우선 이름
- ethyl 3,5-dimethyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 3,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpyrazole-4-carboxylate
- 영어명
- ETHYL 3,5-DIMETHYL-1-[(2-METHYL-5-NITROPHENYL)SULFONYL]-1H-PYRAZOLE-4-CARBOXYLATE
- 분자식
- C15H17N3O6S
- 분자량
- 367.38
이름 및 동의어
956938-60-6ethyl 3,5-dimethyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(2-methyl-5-nitrobenzenesulfonyl)-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpyrazole-4-carboxylateEthyl 3,5-dimethyl-1-((2-methyl-5-nitrophenyl)sulfonyl)-1H-pyrazole-4-carboxylateMFCD08064738AKOS0050907343Y-0802ethyl 3,5-dimethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-pyrazole-4-carboxylateethyl3,5-dimethyl-1-(2-methyl-5-nitrobenzenesulfonyl)-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-, ethyl ester
데이터베이스 식별자
- CAS
956938-60-6- PubChem CID
- 16413167
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 614
물리화학적 성질
- 끓는 점
- 548.2 · 548.2±60.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -6.69 · -6.69±0.19(Predicted)
관련 반응
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