Home Carboxys 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
176969-34-9
Catalog Number:
AG00250V
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$57
- +
10g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$188
- +
100g
98%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG00250V
Chemical Name:
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
176969-34-9
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD11865267
IUPAC Name:
3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
InChI Key:
RLOHOBNEYHBZID-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)C(=O)O)C(F)F
EC Number:
700-093-4
UNII:
20527OAN56
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:
0.4  
Properties