Home Carboxys 5-(difluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

5-(difluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1187935-84-7
Catalog Number:
AG01C5GJ
Molecular Formula:
C11H8F2N2O2
Molecular Weight:
238.1902
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C5GJ
Chemical Name:
5-(difluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1187935-84-7
Molecular Formula:
C11H8F2N2O2
Molecular Weight:
238.1902
MDL Number:
MFCD17402704
IUPAC Name:
5-(difluoromethyl)-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H8F2N2O2/c12-10(13)9-8(11(16)17)6-14-15(9)7-4-2-1-3-5-7/h1-6,10H,(H,16,17)
InChI Key:
QCVJEOPZSCVJBZ-UHFFFAOYSA-N
SMILES:
FC(c1c(cnn1c1ccccc1)C(=O)O)F
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.055g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.194g/mol
Monoisotopic Mass:
238.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties