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Home > Fluorides > 113211-63-5
113211-63-5 | 1H-Imidazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-
CAS No: 113211-63-5 Catalog No: AG007T1Z MDL No:
Product Description
Catalog Number:
AG007T1Z
Chemical Name:
1H-Imidazole-4-carboxamide, 1-[(2,6-difluorophenyl)methyl]-
CAS Number:
113211-63-5
Molecular Formula:
C11H9F2N3O
Molecular Weight:
237.2055
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
InChI:
InChI=1S/C11H9F2N3O/c12-8-2-1-3-9(13)7(8)4-16-5-10(11(14)17)15-6-16/h1-3,5-6H,4H2,(H2,14,17)
InChI Key:
KOVPOLQWEFBFPK-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cn1cnc(c1)C(=O)N)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.21g/mol
Monoisotopic Mass:
237.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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