Home Carboxys 1-(difluoromethyl)-1H-imidazole-4-carboxylic acid

1-(difluoromethyl)-1H-imidazole-4-carboxylic acid

CAS No.:
2098794-95-5
Catalog Number:
AG01DW7T
Molecular Formula:
C5H4F2N2O2
Molecular Weight:
162.0943
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Product Description
Catalog Number:
AG01DW7T
Chemical Name:
1-(difluoromethyl)-1H-imidazole-4-carboxylic acid
CAS Number:
2098794-95-5
Molecular Formula:
C5H4F2N2O2
Molecular Weight:
162.0943
MDL Number:
MFCD31617230
IUPAC Name:
1-(difluoromethyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C5H4F2N2O2/c6-5(7)9-1-3(4(10)11)8-2-9/h1-2,5H,(H,10,11)
InChI Key:
WHISGEJHNNSDQN-UHFFFAOYSA-N
SMILES:
FC(n1cnc(c1)C(=O)O)F
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.096g/mol
Monoisotopic Mass:
162.024g/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