2-(2-Fluoro-4-chloro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one

HCID 11089828

기본 정보

표준 SMILES
Cc1c(C(F)(F)F)cnn(-c2cc(OC(C)C)c(Cl)cc2F)c1=O
InChIKey
WCEVCASYBVMSFT-UHFFFAOYSA-N
분자식
C15H13ClF4N2O2
평균 분자량
364.72 g/mol
단동위원소 질량
364.060168

이름 및 식별자

우선 이름
2-(2-Fluoro-4-chloro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one
IUPAC
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one

이름 및 동의어

2-(2-fluoro-4-chloro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one2-[2-fluoro-4-chloro-5-isopropoxyphenyl]-4-methyl-5-trifluoromethylpyridazin-3-oneSCHEMBL4679803SCHEMBL314424372-(4-chloro-2-fluoro-5-isopropoxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-one2-[2-fluoro-4-chloro-5-isopropoxyphenyl]-4-methyl-5-trifluoromethyl-pyridazin-3-one

데이터베이스 식별자

PubChem CID
11089828
Nikkaji
J3.792.756B

물성

구조 계산 물성

XLogP
3.8
극성 표면적
41.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
3
무거운 원자 수
24

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