914201-17-5
4-ETHYL-2-HEPTAFLUOROPROPYL-PYRIMIDINE-5-CARBOXYLIC ACID
Name4-ETHYL-2-HEPTAFLUOROPROPYL-PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
4-ETHYL-2-HEPTAFLUOROPROPYL-PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08689828
【English Synonyms】
【Formula】
C10 H7 F7 N2 O2
【MolWeight】
320.163
【Inchi】
InChI=1S/C10H7F7N2O2/c1-2-5-4(6(20)21)3-18-7(19-5)8(11,12)9(13,14)10(15,16)17/h3H,2H2,1H3,(H,20,21)
【InChIKey】
InChIKey=KIALXFKXCIMOMK-UHFFFAOYSA-N
【SMILES】
CCc1c(cnc(n1)C(C(C(F)(F)F)(F)F)(F)F)C(=O)O
【MOL File】
4-ETHYL-2-HEPTAFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ETHYL-2-HEPTAFLUOROPROPYL-PYRIMIDINE-5-CARBOXYLIC ACID.cml