Ethyl 2',4'-Difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate
기본 정보
- 표준 SMILES
CCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1O- InChIKey
YHZSWAZWTXVQLV-UHFFFAOYSA-N- 분자식
- C15H12F2O3
- 평균 분자량
- 278.25 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2',4'-Difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate
- IUPAC
- ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate
이름 및 동의어
Diflunisal Ethyl Ester126093-86-5Ethyl 2',4'-Difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate2',?4'-Difluoro-?4-?hydroxy-[1,?1'-?biphenyl]?-?3-?carboxylic Acid Ethyl EsterDiflunisal Impurity 7SCHEMBL1818476CHEMBL4572832YHZSWAZWTXVQLV-UHFFFAOYSA-Nethyl 5-(2,4-difluorophenyl)salicylateethyl 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylateethyl 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylateDiflunisal Ethyl Ester; 2',4'-Difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 23078331
- ChEMBL
CHEMBL4572832
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 337
관련 반응
12건
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