기본 정보
- 표준 SMILES
COC(=O)c1ccc(CBr)cc1O- InChIKey
NQNSXBHKFYZMRO-UHFFFAOYSA-N- 분자식
- C9H9BrO3
- 평균 분자량
- 245.07 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-(bromomethyl)-2-hydroxybenzoate
- IUPAC
- methyl 4-(bromomethyl)-2-hydroxybenzoate
이름 및 동의어
methyl 4-(bromomethyl)-2-hydroxybenzoate83908-06-9Benzoic acid, 4-(bromomethyl)-2-hydroxy-, methyl esterMFCD28128389methyl 4bromomethylsalicylatemethyl 4-bromomethylsalicylatemethyl4-bromomethyl-salicylatemethyl 4-bromomethyl-salicylateSCHEMBL5058622NQNSXBHKFYZMRO-UHFFFAOYSA-NRMA-4162methyl 4-bromomethyl-2-hydroxybenzoate
이름 더 보기
4-bromomethylsalicylic acid methyl estermethyl 4-bromomethyl--2-hydroxybenzoateAS-77348DA-32558methyl 4-(bromomethyl)-2-hydroxy-benzoateD935734-bromomethyl-2-hydroxy-benzoic acid methylester4-Bromomethyl-2-hydroxy-benzoic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 22556059
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 184
관련 반응
18건
화합물 노트
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