methyl(2Z)-3-hydroxy-2-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-2-propenoate (HCID 67953508)

기본 정보

표준 SMILES: COC(=O)/C(=C\O)Cc1cnc(C(F)(F)F)nc1
InChIKey: FYHICVZDCFUSOW-ALCCZGGFSA-N
분자식: C10H9F3N2O3
평균 분자량: 262.18 g/mol

이름 및 식별자

우선 이름: methyl(2Z)-3-hydroxy-2-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-2-propenoate
IUPAC: methyl (Z)-3-hydroxy-2-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]prop-2-enoate

이름 및 동의어

methyl(2Z)-3-hydroxy-2-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-2-propenoateSCHEMBL9892533methyl (2Z)-3-hydroxy-2-{[2-(trifluoro methyl)-5-pyrimidinyl]methyl}-2-propenoatemethyl (2Z)-3-hydroxy-2-{[2-(trifluoromethyl)-5-pyrimidinyl]methyl}-2-propenoate

데이터베이스 식별자

PubChem CID: 67953508

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 72.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 323

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