524036-11-1
3-CHLORO-5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
Name3-CHLORO-5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
1Identification
【Name】
3-CHLORO-5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02253966
【English Synonyms】
【Formula】
C9 H5 Cl F3 N3 O2
【MolWeight】
279.604
【Inchi】
InChI=1S/C9H5ClF3N3O2/c1-3-2-4(9(11,12)13)16-7(14-3)5(10)6(15-16)8(17)18/h2H,1H3,(H,17,18)
【InChIKey】
InChIKey=OWGWOFAOQYFJGZ-UHFFFAOYSA-N
【SMILES】
Cc1cc(n2c(n1)c(c(n2)C(=O)O)Cl)C(F)(F)F
【MOL File】
3-CHLORO-5-METHYL-7-….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
3-CHLORO-5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID.cml