기본 정보
- 표준 SMILES
COC(=O)c1cc(-c2ccc(F)cc2F)ccc1O- InChIKey
QMPIMDAYFIIMIH-UHFFFAOYSA-N- 분자식
- C14H10F2O3
- 평균 분자량
- 264.22 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylate
- IUPAC
- methyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate
이름 및 동의어
55544-00-8Methyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylateDiflunisal Methyl EsterMFCD29079102SCHEMBL410760CHEMBL125722QMPIMDAYFIIMIH-UHFFFAOYSA-NMethyl 5-(2,4-difluorophenyl)salicylateH42892Methyl5-(2,4-difluorophenyl)-2-hydroxybenzoatemethyl 5-(2,4-difluorophenyl)-2-hydroxy-benzoatemethyl 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate
이름 더 보기
Methyl-2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate2', 4'-Difluoro-4-hydroxy-biphenyl-3-carboxylic acid methyl esterMethyl 2'',4''-Difluoro-4-hydroxy-[1,1''-biphenyl]-3-carboxylateDiflunisal Methyl Ester; 2',4'-Difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid methyl ester; Diflunisal methyl ester; Methyl 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylate; Methyl 5-(2,4-difluorophenyl)salicylate
데이터베이스 식별자
- PubChem CID
- 491921
- ChEMBL
CHEMBL125722- Nikkaji
- J1.970.789J
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 324
관련 반응
12건
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