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

1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1004643-64-4
Catalog Number:
AG00021Y
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$244
- +
5g
96%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG00021Y
Chemical Name:
1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1004643-64-4
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD04970128
IUPAC Name:
1-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-3-2-4(5(11)12)9-10(3)6(7)8/h2,6H,1H3,(H,11,12)
InChI Key:
TUXYFJUEAARJQQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C)C(F)F
Properties
Complexity:
188  
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:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties