Methyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylate

HCID 491921

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

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