5-[3-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxy)phenyl]3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

HCID 21463628
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기본 정보

표준 SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIKey
CSFKJOQFCFJYAD-UHFFFAOYSA-N
분자식
C21H11Cl3F4N4O
평균 분자량
517.7 g/mol
단동위원소 질량
515.993457

이름 및 식별자

우선 이름
5-[3-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxy)phenyl]3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole
IUPAC
3-chloro-2-[2-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]-5-(trifluoromethyl)pyridine

이름 및 동의어

5-[3-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxy)phenyl]3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazoleSCHEMBL83039205-[3-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxy)phenyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

데이터베이스 식별자

PubChem CID
21463628

물성

구조 계산 물성

XLogP
7
극성 표면적
52.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
33

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5-[3-chloro-4-(3-chloro-5-trifluoromethylpyridine-2-yloxy)phenyl]3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole (HCID 21463628)｜Huagongshe