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89676-60-8 | 1H-Imidazole-4-carboxylicacid, 2,5-difluoro-
CAS No: 89676-60-8 Catalog No: AG0044IA MDL No:MFCD18808680
Product Description
Catalog Number:
AG0044IA
Chemical Name:
1H-Imidazole-4-carboxylicacid, 2,5-difluoro-
CAS Number:
89676-60-8
Molecular Formula:
C4H2F2N2O2
Molecular Weight:
148.0677
MDL Number:
MFCD18808680
IUPAC Name:
2,5-difluoro-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C4H2F2N2O2/c5-2-1(3(9)10)7-4(6)8-2/h(H,7,8)(H,9,10)
InChI Key:
XLKTZKNVMAATOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc([nH]c1F)F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.008g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.069g/mol
Monoisotopic Mass:
148.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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