기본 정보
- 표준 SMILES
Cc1c(F)c(Br)cc2c1c(=O)c(C(=O)O)cn2C1CC1- InChIKey
FMNWEXUSEYKPGZ-UHFFFAOYSA-N- 분자식
- C14H11BrFNO3
- 평균 분자량
- 340.14 g/mol
- 단동위원소 질량
- 338.99063
이름 및 식별자
- 우선 이름
- 7-Bromo-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 7-bromo-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
- 영어명
- 7-Bromo-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- 분자식
- C14H11BrFNO3
- 분자량
- 340.14
이름 및 동의어
119916-34-67-BROMO-1-CYCLOPROPYL-6-FLUORO-5-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDFMNWEXUSEYKPGZ-UHFFFAOYSA-N7-BROMO-1-CYCLOPROPYL-6-FLUORO-5-METHYL-4-OXOQUINOLINE-3-CARBOXYLIC ACIDSCHEMBL5868703DTXSID704360741-cyclopropyl-6-fluoro-7-bromo-5-methyl-1,4- dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6-fluoro-7-bromo-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid7-Bromo-1-Cyclopropyl-6-Fluoro-5-Methyl-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid3-Quinolinecarboxylic acid, 7-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-4-oxo-
데이터베이스 식별자
- CAS
119916-34-6- PubChem CID
- 10132015
- DTXSID
DTXSID70436074
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 57.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 491
물리화학적 성질
- 끓는 점
- 508.1 · 508.1±50.0 °C(Predicted)
- 밀도
- 1.781 · 1.781±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.37 · 6.37±0.50(Predicted)
관련 반응
12건
연결된 노트
불러오는 중…