1-(4-chloro-2-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole

HCID 135501604

기본 정보

CAS
111992-04-2
표준 SMILES
Cc1nn(-c2ccc(Cl)cc2F)c(=O)[nH]1
InChIKey
BTGAATKPDODCIK-UHFFFAOYSA-N
분자식
C9H7ClFN3O
평균 분자량
227.62 g/mol
단동위원소 질량
227.02616774

이름 및 식별자

우선 이름
1-(4-chloro-2-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole
IUPAC
2-(4-chloro-2-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-one

이름 및 동의어

1-(4-chloro-2-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole111992-04-2SCHEMBL6656933SCHEMBL30782806SCHEMBL30782807DTXSID60448464BTGAATKPDODCIK-UHFFFAOYSA-NAK-105/408322602-(4-chloro-2-fluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one1-(4-chloro-2-fluorophenyl)-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one2-(4-Chloro-2-fluorophenyl)-5-methyl-1,2-dihydro-3H-1,2,4-triazol-3-one4,5-dihydro-1-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-1H-1,2,4-triazole

데이터베이스 식별자

CAS
111992-04-2
PubChem CID
135501604
DTXSID
DTXSID60448464
Nikkaji
J379.346J

물성

구조 계산 물성

XLogP
1.7
극성 표면적
44.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
15

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