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Home > Imidazoles > 914781-69-4
914781-69-4 | 1-benzyl-1H-imidazole-5-carbonitrile
CAS No: 914781-69-4 Catalog No: AG00H4WU MDL No:
Product Description
Catalog Number:
AG00H4WU
Chemical Name:
1-benzyl-1H-imidazole-5-carbonitrile
CAS Number:
914781-69-4
IUPAC Name:
3-benzylimidazole-4-carbonitrile
InChI:
InChI=1S/C11H9N3/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-5,7,9H,8H2
InChI Key:
IQBAPOBQDAEYAT-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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