1780-80-9
4-CHLORO-6-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Name4-CHLORO-6-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
1Identification
【Name】
4-CHLORO-6-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
【CAS】
【MDL】
MFCD09999248
【English Synonyms】
【Formula】
C6 H2 Cl F3 N4
【MolWeight】
222.557
【Inchi】
InChI=1S/C6H2ClF3N4/c7-3-2-1-11-14-4(2)13-5(12-3)6(8,9)10/h1H,(H,11,12,13,14)
【InChIKey】
InChIKey=SNIVBXKAXKSWQE-UHFFFAOYSA-N
【SMILES】
c1c2c([nH]n1)nc(nc2Cl)C(F)(F)F
【MOL File】
4-CHLORO-6-(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-6-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE.cml