500369-17-5
5-[(4-FLUOROPHENYL)METHYL]PYRIMIDINE-2-CARBOXYLIC ACID
Name5-[(4-FLUOROPHENYL)METHYL]PYRIMIDINE-2-CARBOXYLIC ACID
1Identification
【Name】
5-[(4-FLUOROPHENYL)METHYL]PYRIMIDINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16657334
【English Synonyms】
【Formula】
C12 H9 F N2 O2
【MolWeight】
232.213
【Inchi】
InChI=1S/C12H9FN2O2/c13-10-3-1-8(2-4-10)5-9-6-14-11(12(16)17)15-7-9/h1-4,6-7H,5H2,(H,16,17)
【InChIKey】
InChIKey=XISFJCOGQGGTOX-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1Cc2cnc(nc2)C(=O)O)F
【MOL File】
5-[(4-FLUOROPHENYL)M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-FLUOROPHENYL)METHYL]PYRIMIDINE-2-CARBOXYLIC ACID.cml