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46323-27-7 | 1H-Imidazole-2-carbonitrile, 1-(phenylmethyl)-
CAS No: 46323-27-7 Catalog No: AG0072RU MDL No:
Product Description
Catalog Number:
AG0072RU
Chemical Name:
1H-Imidazole-2-carbonitrile, 1-(phenylmethyl)-
CAS Number:
46323-27-7
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
1-benzylimidazole-2-carbonitrile
InChI:
InChI=1S/C11H9N3/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-7H,9H2
InChI Key:
IYJCCWWFXUVDEC-UHFFFAOYSA-N
SMILES:
N#Cc1nccn1Cc1ccccc1
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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