기본 정보
- CAS
33369-30-1- 표준 SMILES
CCOC(=O)Cc1cc(C)c(C(=O)c2ccc(Cl)cc2)n1C- InChIKey
AGKFMUXEONTGAH-UHFFFAOYSA-N- 분자식
- C17H18ClNO3
- 평균 분자량
- 319.8 g/mol
- 단동위원소 질량
- 319.09752112
이름 및 식별자
- 우선 이름
- ethyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
- IUPAC
- ethyl 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate
- 영어명
- ethyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
- 분자식
- C17H18ClNO3
- 분자량
- 319.78272
이름 및 동의어
Ethyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetateKKX9XE8BY2EINECS 251-473-7ethyl 5-(4-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetateDTXSID10186985ethyl 5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrole-2-acetateethyl 5-(p-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetate1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, ethyl esterRefChem:138800DTXCID5010947633369-30-1UNII-KKX9XE8BY2
이름 더 보기
5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid ethyl ester
SCHEMBL7675690NS00029472ethyl 5-(p-chlorobenzoyl)-1,4 -dimethylpyrrole-2-acetateethyl 5-(rho-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetateEthyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate
데이터베이스 식별자
- CAS
33369-30-1- PubChem CID
- 118463
- DTXSID
DTXSID10186985- UNII
- KKX9XE8BY2
- EC Number
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 48.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 407
관련 반응
43건
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