3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

HCID 21463672

기본 정보

표준 SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(CO)c(Cl)c1
InChIKey
DNHHAOWRKGCKBT-UHFFFAOYSA-N
분자식
C16H12Cl2FN3O
평균 분자량
352.2 g/mol
단동위원소 질량
351.0341456

이름 및 식별자

우선 이름
3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole
IUPAC
[2-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol

이름 및 동의어

SCHEMBL8298161DNHHAOWRKGCKBT-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-hydroxymethylphenyl) 1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

데이터베이스 식별자

PubChem CID
21463672

물성

구조 계산 물성

XLogP
3.8
극성 표면적
50.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
23

관련 반응

12건

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