2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid

HCID 12056789

기본 정보

표준 SMILES
Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)O)c(Cl)cc2F)c1=O
InChIKey
WFDLOUDEDOLTLC-UHFFFAOYSA-N
분자식
C13H7ClF4N2O4
평균 분자량
366.65 g/mol
단동위원소 질량
366.0030471

이름 및 식별자

우선 이름
2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid
IUPAC
2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid

이름 및 동의어

2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid120890-57-52-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorobenzoic acidSCHEMBL2976620WFDLOUDEDOLTLC-UHFFFAOYSA-N2-Chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)benzoic acid2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluoro-benzoic Acid2-chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluorobenzoic acid2-chloro-5[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]-4fluorobenzoic acid

데이터베이스 식별자

PubChem CID
12056789

물성

구조 계산 물성

XLogP
2.1
극성 표면적
77.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
2
무거운 원자 수
24

관련 반응

9건

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