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

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

CAS No.:
1174308-83-8
Catalog Number:
AG00HDYR
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
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Product Description
Catalog Number:
AG00HDYR
Chemical Name:
5-(Difluoromethyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1174308-83-8
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD10700224
IUPAC Name:
5-(difluoromethyl)-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-10-4(5(7)8)2-3(9-10)6(11)12/h2,5H,1H3,(H,11,12)
InChI Key:
XJZOYEUCGIXABG-UHFFFAOYSA-N
SMILES:
FC(c1cc(nn1C)C(=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:
0.7  
Properties