784142-87-6
1-(3-BROMOPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name1-(3-BROMOPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
FormulaC11 H6 Br F3 N2 O2
1Identification
【Name】
1-(3-BROMOPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16658970
【English Synonyms】
【Formula】
C11 H6 Br F3 N2 O2
【MolWeight】
335.078
【Inchi】
InChI=1S/C11H6BrF3N2O2/c12-6-2-1-3-7(4-6)17-5-8(10(18)19)9(16-17)11(13,14)15/h1-5H,(H,18,19)
【InChIKey】
InChIKey=AKPOSFGNBDSYAE-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)n2cc(c(n2)C(F)(F)F)C(=O)O
【MOL File】
1-(3-BROMOPHENYL)-3-….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
1-(3-BROMOPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml