기본 정보
- CAS
33369-27-6- 표준 SMILES
CCOC(=O)Cc1c(C(=O)OCC)c(C)c(C(=O)c2ccc(Cl)cc2)n1C- InChIKey
NXCXUUSRXIDGRA-UHFFFAOYSA-N- 분자식
- C20H22ClNO5
- 평균 분자량
- 391.8 g/mol
- 단동위원소 질량
- 391.11865048
이름 및 식별자
- 우선 이름
- ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
- IUPAC
- ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethylpyrrole-3-carboxylate
- 영어명
- ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
- 분자식
- C20H22ClNO5
- 분자량
- 391.85
이름 및 동의어
33369-27-6EINECS 251-470-0Ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetateDTXSID30186982RefChem:138801DTXCID70109473251-470-0ethyl 5-(4-chlorobenzoyl)-2-(2-ethoxy-2-oxoethyl)-1,4-dimethyl-1h-pyrrole-3-carboxylateSCHEMBL7682322NS00029469ethyl 5-(p-chlorobenzoyl)-1,4 dimethyl-3 -ethoxycarbonylpyrrole-2-acetateethyl 5-(p-chlorobenzoyl)-1,4 dimethyl-3-ethoxycarbonylpyrrole-2-acetate
이름 더 보기
5-(4-Chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid ethyl ester1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-, ethyl ester
ethyl 5-(rho-chlorobenzoyl)-1,4 dimethyl-3-ethoxycarbonylpyrrole-2-acetate
데이터베이스 식별자
- CAS
33369-27-6
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 546
물리화학적 성질
- 끓는 점
- 527.4 · 527.4±50.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -10.86 · -10.86±0.70(Predicted)
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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