기본 정보
- 표준 SMILES
COC=C(C(=O)OC)c1ccccc1CBr- InChIKey
MGUDGDSNHPKOLL-UHFFFAOYSA-N- 분자식
- C12H13BrO3
- 평균 분자량
- 285.13 g/mol
- 단동위원소 질량
- 284.00480638
이름 및 식별자
- 우선 이름
- Methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
- IUPAC
- methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
- 현지명
- 2-(브로모메틸)-알파-(메톡시메틸렌)벤젠아세트산메틸에스테르
- 영어명
- 2-(Bromomethyl)-alpha-(methoxymethylene)benzeneacetic acid methyl ester
- 분자식
- C12H13BrO3
- 분자량
- 285.14
이름 및 동의어
107048-59-9methyl 2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoateMethyl 2-(2-bromomethylphenyl)-3-methoxyacrylate2-(Bromomethyl)-alpha-(methoxymethylene)benzeneacetic acid methyl estermethyl 3-methoxy-2-(2-bromomethylphenyl)acrylateSCHEMBL5257839DTXSID90694114MGUDGDSNHPKOLL-UHFFFAOYSA-Nmethyl alpha-(2-bromomethylphenyl)-betamethoxyacrylateMethyl alpha-(2-bromomethylphenyl)-beta-methoxyacrylate2-(alpha-bromo-o-tolyl)-3-methoxyacrylic acid methyl estermethyl 2-(bromomethyl)-alpha-(methoxymethylene)phenylacetate
이름 더 보기
2-(브로모메틸)-알파-(메톡시메틸렌)벤젠아세트산메틸에스테르Benzeneacetic acid, 2-(bromomethyl)-α-(methoxymethylene)-, methyl esterBenzeneacetic acid, 2-(broMoMethyl)-a-(MethoxyMethylene)-, Methyl ester
methyl 2-[2-(bromomethyl)phenyl]-3-methoxy-prop-2-enoatemethyl alpha- (2-bromomethylphenyl ) -beta-methoxyacrylatemethyl alpha-[2-(bromomethyl)-phenyl]-beta-methoxyacrylate2-(Bromomethyl)-alpha-(methoxymethylene)benzeneaceticacid methylester2-(bromomethyl)-alpha-(methoxymethylene)-phenylacetic acid methyl ester
데이터베이스 식별자
- CAS
107048-59-9- PubChem CID
- 53395349
- DTXSID
DTXSID90694114
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 263
물리화학적 성질
- 녹는점
- 94 ℃ · 94℃
- 끓는 점
- 383.5 · 383.5±42.0 °C(Predicted)
- 밀도
- 1.383 · 1.383
화학 및 산업
공급사6 곳
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
嘉兴诺华化工有限公司18957373295
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
重庆卡兰医药有限公司[email protected]
관련 반응
50건
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