Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

HCID 13579166CAS 99696-21-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)c(F)cc2c1=O
InChIKey
NUBFPWXUKJGZNA-UHFFFAOYSA-N
분자식
C15H12ClF2NO3
평균 분자량
327.71 g/mol
단동위원소 질량
327.04737736

이름 및 식별자

우선 이름
Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
IUPAC
ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
영어명
ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydroquinoline-4-oxo-3-carboxyla
분자식
C15H12ClF2NO3
분자량
327.71

이름 및 동의어

99696-21-6Ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylateDTXSID80544255RefChem:344681DTXCID70495040ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylateSCHEMBL7575069NUBFPWXUKJGZNA-UHFFFAOYSA-NEthyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylateethyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylateSitafloxacin Impurity 58ethyl 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydroquinoline-4-oxo-3-carboxyla
이름 더 보기
Ethyl8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydroquinoline-4-oxo-3-carboxylateETHYL 8-CHLORO-1-CYCLOPROPYL-6,7-DIFLUORO-4-OXO-1,4-DIHYDROQUINOLINE -3-CARBOXYLATE8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester

데이터베이스 식별자

CAS
99696-21-6
PubChem CID
13579166
DTXSID
DTXSID80544255

물성

구조 계산 물성

XLogP
3.5
극성 표면적
46.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
22

물리화학적 성질

녹는점
160 · 160-162.5℃
끓는 점
450.6 · 450.6±45.0 °C(Predicted)
밀도
1.513 · 1.513
산도 계수 (pKa)
-4.59 · -4.59±0.40(Predicted)

화학 및 산업

공급사7 곳

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