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155579-43-4 | 1H-Imidazole-4-carbonitrile, 5-amino-1-(4-methoxyphenyl)-
CAS No: 155579-43-4 Catalog No: AG001NZQ MDL No:
Product Description
Catalog Number:
AG001NZQ
Chemical Name:
1H-Imidazole-4-carbonitrile, 5-amino-1-(4-methoxyphenyl)-
CAS Number:
155579-43-4
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
IUPAC Name:
5-amino-1-(4-methoxyphenyl)imidazole-4-carbonitrile
InChI:
InChI=1S/C11H10N4O/c1-16-9-4-2-8(3-5-9)15-7-14-10(6-12)11(15)13/h2-5,7H,13H2,1H3
InChI Key:
OXQWYPZAYYCJMG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cnc(c1N)C#N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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