544704-08-7
4,6-DIMETHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
Name4,6-DIMETHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
4,6-DIMETHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11847376
【English Synonyms】
【Formula】
C8 H7 F3 N2 O2
【MolWeight】
220.149
【Inchi】
InChI=1S/C8H7F3N2O2/c1-3-5(6(14)15)4(2)13-7(12-3)8(9,10)11/h1-2H3,(H,14,15)
【InChIKey】
InChIKey=VYPLQBIHGYKXRS-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)C(F)(F)F)C)C(=O)O
【MOL File】
4,6-DIMETHYL-2-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,6-DIMETHYL-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID.cml