Home Carboxys 3-(Difluoromethyl)-1h-pyrazole-5-carboxylic acid

3-(Difluoromethyl)-1h-pyrazole-5-carboxylic acid

CAS No.:
681034-51-5
Catalog Number:
AG00FS06
Molecular Formula:
C5H4F2N2O2
Molecular Weight:
162.0943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG00FS06
Chemical Name:
3-(Difluoromethyl)-1h-pyrazole-5-carboxylic acid
CAS Number:
681034-51-5
Molecular Formula:
C5H4F2N2O2
Molecular Weight:
162.0943
MDL Number:
MFCD18809604
IUPAC Name:
5-(difluoromethyl)-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H4F2N2O2/c6-4(7)2-1-3(5(10)11)9-8-2/h1,4H,(H,8,9)(H,10,11)
InChI Key:
SVBYGDXOBUZSTN-UHFFFAOYSA-N
SMILES:
FC(c1[nH]nc(c1)C(=O)O)F
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.096g/mol
Monoisotopic Mass:
162.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties