220880-12-6
4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
Name4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11106713
【English Synonyms】
【Formula】
C6 H3 F3 N2 O2
【MolWeight】
192.096
【Inchi】
InChI=1S/C6H3F3N2O2/c7-6(8,9)4-3(5(12)13)1-10-2-11-4/h1-2H,(H,12,13)
【InChIKey】
InChIKey=OQHVVOYDDRBQRI-UHFFFAOYSA-N
【SMILES】
c1c(c(ncn1)C(F)(F)F)C(=O)O
【MOL File】
4-(TRIFLUOROMETHYL)P….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-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLIC ACID.cml