6-(3-Chloro-4-fluoro-phenyl)-8-fluoro-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

HCID 9858406

기본 정보

표준 SMILES
CC1(C)OC(=O)Nc2c(F)cc(-c3ccc(F)c(Cl)c3)cc21
InChIKey
QXXOGHDDSWRZPI-UHFFFAOYSA-N
분자식
C16H12ClF2NO2
평균 분자량
323.72 g/mol

이름 및 식별자

우선 이름
6-(3-Chloro-4-fluoro-phenyl)-8-fluoro-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
IUPAC
6-(3-chloro-4-fluorophenyl)-8-fluoro-4,4-dimethyl-1H-3,1-benzoxazin-2-one

이름 및 동의어

SCHEMBL4162611QXXOGHDDSWRZPI-UHFFFAOYSA-N6-(3-chloro-4-fluoro-phenyl)-8-fluoro-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]-oxazin-2-one6-(3-chloro-4-fluoro-phenyl)-8-fluoro-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one6-(3-Chloro-4-fluoro-phenyl)-8-fluoro4,4-dimethyl-1,4-dihydrobenzo [d][1,3]-oxazin-2-one6-(3-Chloro-4-fluoro-phenyl)-8-fluoro4,4-dimethyl-1,4-dihydrobenzo[d][1,3]-oxazin-2-one

데이터베이스 식별자

PubChem CID
9858406

물성

구조 계산 물성

XLogP
4.1
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
22

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6건

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