2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

HCID 13769456

기본 정보

CAS
97986-19-1
표준 SMILES
Cc1nn(-c2cc(O)c(Cl)cc2F)c(=O)n1C(F)F
InChIKey
QQTMXIJXDAOMKT-UHFFFAOYSA-N
분자식
C10H7ClF3N3O2
평균 분자량
293.63 g/mol
단동위원소 질량
293.0178887

이름 및 식별자

우선 이름
2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
IUPAC
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one

이름 및 동의어

2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one1-[4-chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one97986-19-1SCHEMBL5402935CHEMBL2289443DTXSID00548932

데이터베이스 식별자

CAS
97986-19-1
PubChem CID
13769456
DTXSID
DTXSID00548932
ChEMBL
CHEMBL2289443
Nikkaji
J857.490A

물성

구조 계산 물성

XLogP
2.4
극성 표면적
56.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
19

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