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

HCID 21463681

기본 정보

표준 SMILES
CC(=O)OCc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1Cl
InChIKey
QULAPGVXXDLWLV-UHFFFAOYSA-N
분자식
C18H14Cl2FN3O2
평균 분자량
394.2 g/mol

이름 및 식별자

우선 이름
5-(4-acetoxymethyl-3-chlorophenyl)-3-(2-chloro-6-fluorophenyl) 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]methyl acetate

이름 및 동의어

SCHEMBL8304720QULAPGVXXDLWLV-UHFFFAOYSA-N5-(4-acetoxymethyl-3-chlorophenyl)-3(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole5-(4-acetoxymethyl-3-chlorophenyl)-3-(2-chloro-6-fluorophenyl) 1-methyl-1H-1,2,4-triazole5-(4-acetoxymethyl-3-chlorophenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

데이터베이스 식별자

PubChem CID
21463681

물성

구조 계산 물성

XLogP
4.4
극성 표면적
57 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
26

관련 반응

6건

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