500130-77-8
2-ETHYL-4-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID
Name2-ETHYL-4-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
2-ETHYL-4-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11848030
【English Synonyms】
【Formula】
C8 H7 F3 N2 O2
【MolWeight】
220.149
【Inchi】
InChI=1S/C8H7F3N2O2/c1-2-5-12-3-4(7(14)15)6(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15)
【InChIKey】
InChIKey=GKHUETPYKOIENM-UHFFFAOYSA-N
【SMILES】
CCc1ncc(c(n1)C(F)(F)F)C(=O)O
【MOL File】
2-ETHYL-4-TRIFLUOROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ETHYL-4-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID.cml