960198-50-9
2-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
Name2-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
2-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09864713
【English Synonyms】
【Formula】
C12 H9 F N2 O2
【MolWeight】
232.213
【Inchi】
InChI=1S/C12H9FN2O2/c1-17-12(16)9-6-14-11(15-7-9)8-2-4-10(13)5-3-8/h2-7H,1H3
【InChIKey】
InChIKey=QWOCFKNPWTZDTH-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cnc(nc1)c2ccc(cc2)F
【MOL File】
2-(4-FLUOROPHENYL)PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER.cml