기본 정보
- 표준 SMILES
O=C(O)Cc1ccc(-c2ccccc2)c(F)c1- InChIKey
ZLLZRKQQNGBXRD-UHFFFAOYSA-N- 분자식
- C14H11FO2
- 평균 분자량
- 230.23 g/mol
- 단동위원소 질량
- 230.07430781
이름 및 식별자
- 우선 이름
- 2-(2-Fluoro-(1,1'-biphenyl)-4-yl)acetic acid
- IUPAC
- 2-(3-fluoro-4-phenylphenyl)acetic acid
- 현지명
- (2-FLUORO-4-BIPHENYL)아세틱산
- 영어명
- (2-Fluoro-4-biphenyl)acetic acid
- 분자식
- C14H11FO2
- 분자량
- 230.23
이름 및 동의어
5001-96-72-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acidDTXSID504741362-(2-Fluoro-(1,1'-biphenyl)-4-yl)acetic acid2-{2-fluoro-[1,1'-biphenyl]-4-yl}acetic acidRefChem:1060869DTXCID10424950(2-Fluoro-4-biphenyl)acetic Acid2-(3-fluoro-4-phenylphenyl)acetic acid[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-Desmethylflurbiprofen(2-Fluorobiphenyl-4-Yl)acetic Acid
이름 더 보기
(2-FLUORO-4-BIPHENYL)아세틱산Flurbiprofen Impurity 842-Fluoro-4-biphenylylacetic Acid2-(3-fluoro-4-phenylphenyl)aceticaci2-Fluoro-[1,1'-Biphenyl]-4-acetic Acid2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (Flurbiprofen Impurity)2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid? (Flurbiprofen Impurity)
MFCD098406222-Fluorobiphenyl-4-acetic acidCHEMBL2152245Flurbiprofen Impurity 182-(3-fluoro-4-phenyl-phenyl)acetic Acid2-Fluoro-4-biphenylylacetic Acid; 2-Fluoro-4-biphenylacetic Acid; 2-Fluoro-[1,1'-Biphenyl]-4-acetic Acid;Des-methylflurbiprofen2-(2-fluorobiphenyl-4-yl)acetic acid
데이터베이스 식별자
- CAS
5001-96-7- PubChem CID
- 11831237
- DTXSID
DTXSID50474136- ChEMBL
CHEMBL2152245
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 261
물리화학적 성질
- 녹는점
- 140 · 140-142°C
- 저장 조건
- Sealed in dry,Room Temperature
화학적 성질
Slightly Yellow Solid
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
응용 분야
용도(2-Fluoro-4-biphenyl)acetic Acid is an intermediate in the synthesis of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic.
공급사44 곳
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