851507-96-5
6-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDAZINECARBOXYLIC ACID, METHYL ESTER
Name6-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDAZINECARBOXYLIC ACID, METHYL ESTER
1Identification
【Name】
6-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDAZINECARBOXYLIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD13190719
【English Synonyms】
【Formula】
C13 H9 F3 N2 O2
【MolWeight】
282.22
【Inchi】
InChI=1S/C13H9F3N2O2/c1-20-12(19)11-7-6-10(17-18-11)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3
【InChIKey】
InChIKey=PQNPGIRBPHUGPG-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc(nn1)c2ccc(cc2)C(F)(F)F
【MOL File】
6-[4-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-[4-(TRIFLUOROMETHYL)PHENYL]-3-PYRIDAZINECARBOXYLIC ACID, METHYL ESTER.cml