712319-09-0
7-(DIFLUOROMETHYL)-5-(4-FLUOROPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
Name7-(DIFLUOROMETHYL)-5-(4-FLUOROPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
7-(DIFLUOROMETHYL)-5-(4-FLUOROPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04967191
【English Synonyms】
【Formula】
C14 H8 F3 N3 O2
【MolWeight】
307.23
【Inchi】
InChI=1S/C14H8F3N3O2/c15-8-3-1-7(2-4-8)10-5-11(12(16)17)20-13(19-10)9(6-18-20)14(21)22/h1-6,12H,(H,21,22)
【InChIKey】
InChIKey=MGWMQXYPFYYFRF-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2cc(n3c(n2)c(cn3)C(=O)O)C(F)F)F
【MOL File】
7-(DIFLUOROMETHYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(DIFLUOROMETHYL)-5-(4-FLUOROPHENYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID.cml