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89676-58-4 | 1H-Imidazole-4-carboxylic acid, 2-amino-5-fluoro-, ethyl ester
CAS No: 89676-58-4 Catalog No: AG0042YC MDL No:
Product Description
Catalog Number:
AG0042YC
Chemical Name:
1H-Imidazole-4-carboxylic acid, 2-amino-5-fluoro-, ethyl ester
CAS Number:
89676-58-4
Molecular Formula:
C6H8FN3O2
Molecular Weight:
173.1450
IUPAC Name:
ethyl 2-amino-5-fluoro-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C6H8FN3O2/c1-2-12-5(11)3-4(7)10-6(8)9-3/h2H2,1H3,(H3,8,9,10)
InChI Key:
WIQFWXOIZYVKKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc([nH]c1F)N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.147g/mol
Monoisotopic Mass:
173.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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