기본 정보
- CAS
60682-98-6- 표준 SMILES
CCOC(=O)C=Cc1ccc(CBr)cc1- InChIKey
ZIRVAUOPXCOSFU-UHFFFAOYSA-N- 분자식
- C12H13BrO2
- 평균 분자량
- 269.13 g/mol
이름 및 식별자
- 우선 이름
- 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, ethyl ester
- IUPAC
- ethyl 3-[4-(bromomethyl)phenyl]prop-2-enoate
- 영어명
- Ethyl 4-bromomethylcinnamate
- 분자식
- C12H13BrO2
- 분자량
- 269.13
이름 및 동의어
Ethyl 4-bromomethylcinnamate60682-98-62-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, ethyl esterethyl p-bromomethylcinnamateethyl 4-bromomethyl-cinnamateEthyl p-(Bromomethyl)cinnamateSCHEMBL2352485ZIRVAUOPXCOSFU-UHFFFAOYSA-Nethyl 3-(4-(bromomethyl)phenyl)acrylateDB-0728343-(4-brommethyl)-phenylpropenoic acid ethyl ester4-Bromomethylcinnamic acid ethyl ester; Ethyl 3-(4-bromomethyl)cinnamate; 3-(4-Brommethyl)-phenylpropenoic acid ethyl ester
이름 더 보기
Ethyl 4-bromomethylcethyl 3-(4-bromomethyl)cinnamate4-bromomethylcinnamic acid ethyl esterEthyl 4-bromomethylcinnamate USP/EP/BPETHYL(E)-3-(P-(BROMOMETHYL)PHENYL)ACRYLATEETHYL-3-(PARA-(BROMOMETHYL)PHENYL)ACRYLATEEthyl 3-[4-(bromomethyl)phenyl]prop-2-enoate2-PropenoicAcid,3-[4-(Bromomethyl)-Phenyl]-EthylEthyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
데이터베이스 식별자
- CAS
60682-98-6
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 218
물리화학적 성질
- 끓는 점
- 348 °C · 348°C
- 밀도
- 1.37 · 1.370
- 인화점
- 164 °C · 164°C
화학 및 산업
응용 분야
용도Ethyl 4-bromomethylcinnamate can be used in the preparation of cinnamamide derivative as 5α-reductase inhibitors.
공급사29 곳
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