960198-51-0
2-(3-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
Name2-(3-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
pro_formulaC12 H9 F N2 O2
1Identification
【Name】
2-(3-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09864714
【EnglishSynonyms】
【pro_formula】
C12 H9 F N2 O2
【pro_molWeight】
232.213
【Inchi】
InChI=1S/C12H9FN2O2/c1-17-12(16)9-6-14-11(15-7-9)8-3-2-4-10(13)5-8/h2-7H,1H3
【InChIKey】
InChIKey=FXWRWVBHWUPQAV-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cnc(nc1)c2cccc(c2)F
【MOL File】
2-(3-FLUOROPHENYL)PY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(3-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER.cml