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114067-97-9 | 1H-Imidazole-4-carboxylic acid, 1-(4-fluorophenyl)-
CAS No: 114067-97-9 Catalog No: AG000AH2 MDL No:
Product Description
Catalog Number:
AG000AH2
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-(4-fluorophenyl)-
CAS Number:
114067-97-9
Molecular Formula:
C10H7FN2O2
Molecular Weight:
206.1732
IUPAC Name:
1-(4-fluorophenyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-5-9(10(14)15)12-6-13/h1-6H,(H,14,15)
InChI Key:
SOGAKFHVIAQANZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1cnc(c1)C(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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