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

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

CAS No.:
1052617-38-5
Catalog Number:
AG00HAMI
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
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:
AG00HAMI
Chemical Name:
3-(Difluoromethyl)-1-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
1052617-38-5
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD09971822
IUPAC Name:
5-(difluoromethyl)-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-10-4(6(11)12)2-3(9-10)5(7)8/h2,5H,1H3,(H,11,12)
InChI Key:
AAHYTWRSQZFZCM-UHFFFAOYSA-N
SMILES:
FC(c1nn(c(c1)C(=O)O)C)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:
0.7  
Properties