473994-55-7
[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-
Name[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-
1Identification
【Name】
[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-
【CAS】
【MDL】
MFCD16987569
【English Synonyms】
【Formula】
C7 H3 F3 N4 O2
【MolWeight】
232.121
【Inchi】
InChI=1S/C7H3F3N4O2/c8-7(9,10)3-1-2-14-6(11-3)12-4(13-14)5(15)16/h1-2H,(H,15,16)
【InChIKey】
InChIKey=ZQJGAVRZURRMJE-UHFFFAOYSA-N
【SMILES】
c1cn2c(nc1C(F)(F)F)nc(n2)C(=O)O
【MOL File】
[1,2,4]TRIAZOLO[1,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-.cml