2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzaldehyde

HCID 21201225

기본 정보

표준 SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C=O)c2)c1=O
InChIKey
AGFHXBOXLCIKAN-UHFFFAOYSA-N
분자식
C13H8ClF3N2O3
평균 분자량
332.66 g/mol
단동위원소 질량
332.0175543

이름 및 식별자

우선 이름
2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzaldehyde
IUPAC
2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzaldehyde

이름 및 동의어

2-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzaldehyde3-(4-Chloro-3-formylphenyl)-2,4-dioxo-1-methyl-6-trifluoromethyl-1, 2, 3, 4-tetrahydropyrimidine3-(4-Chloro-3-formylphenyl)-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine3-[4-chloro-3-formylphenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1, 2, 3, 4-tetrahydropyrimidine3-[4-chloro-3-formylphenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidineSCHEMBL78946203-[4-chloro-3-formyl-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1, 2, 3, 4-tetrahydropyrimidine

데이터베이스 식별자

PubChem CID
21201225

물성

구조 계산 물성

XLogP
1.9
극성 표면적
57.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
22

관련 반응

18건

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