Home Carboxys 1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
1342130-35-1
Catalog Number:
AG01BF85
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BF85
Chemical Name:
1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
1342130-35-1
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD20331106
IUPAC Name:
2-(2,2-difluoroethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c7-5(8)3-10-4(6(11)12)1-2-9-10/h1-2,5H,3H2,(H,11,12)
InChI Key:
KCLCELLKUDRQFF-UHFFFAOYSA-N
SMILES:
FC(Cn1nccc1C(=O)O)F
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.123g/mol
Monoisotopic Mass:
176.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties