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Home > Fluorides > 102186-58-3
102186-58-3 | Benzamide, N-(4-cyano-1H-imidazol-5-yl)-3-fluoro-
CAS No: 102186-58-3 Catalog No: AG0006TX MDL No:
Product Description
Catalog Number:
AG0006TX
Chemical Name:
Benzamide, N-(4-cyano-1H-imidazol-5-yl)-3-fluoro-
CAS Number:
102186-58-3
Molecular Formula:
C11H7FN4O
Molecular Weight:
230.1979
IUPAC Name:
N-(5-cyano-1H-imidazol-4-yl)-3-fluorobenzamide
InChI:
InChI=1S/C11H7FN4O/c12-8-3-1-2-7(4-8)11(17)16-10-9(5-13)14-6-15-10/h1-4,6H,(H,14,15)(H,16,17)
InChI Key:
KOGZNUDTZPILDV-UHFFFAOYSA-N
SMILES:
N#Cc1nc[nH]c1NC(=O)c1cccc(c1)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.202g/mol
Monoisotopic Mass:
230.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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