Home Carboxys 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

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

CAS No.:
1204298-65-6
Catalog Number:
AG003M7B
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$163
- +
1g
98%
In Stock USA
United States
$413
- +
5g
98%
In Stock USA
United States
$1638
- +
Product Description
Catalog Number:
AG003M7B
Chemical Name:
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1204298-65-6
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD12827721
IUPAC Name:
5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-10-4(5(7)8)3(2-9-10)6(11)12/h2,5H,1H3,(H,11,12)
InChI Key:
CTTXMUZEFPPHGD-UHFFFAOYSA-N
SMILES:
FC(c1n(C)ncc1C(=O)O)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:
0.4  
Properties