943107-51-5
1-(2,2-DIFLUOROETHYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name
1-(2,2-DIFLUOROETHYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Formula
C7 H8 F2 N2 O2
MolWeight
190.148
1Identification
【Name】
1-(2,2-DIFLUOROETHYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08696517
【English Synonyms】
【Formula】
C7 H8 F2 N2 O2
【MolWeight】
190.148
【Inchi】
InChI=1S/C7H8F2N2O2/c1-4-2-5(7(12)13)10-11(4)3-6(8)9/h2,6H,3H2,1H3,(H,12,13)
【InChIKey】
InChIKey=BJHNVFLWZWOFRQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1CC(F)F)C(=O)O
【MOL File】
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
1-(2,2-DIFLUOROETHYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml
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