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23996-12-5 | 3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile
CAS No: 23996-12-5 Catalog No: AG003I1C MDL No:MFCD00047047
Product Description
Catalog Number:
AG003I1C
Chemical Name:
3-(2-Phenyl-1H-imidazol-1-yl)propanenitrile
CAS Number:
23996-12-5
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD00047047
IUPAC Name:
3-(2-phenylimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2
InChI Key:
BVYPJEBKDLFIDL-UHFFFAOYSA-N
SMILES:
N#CCCn1ccnc1c1ccccc1
EC Number:
245-972-9
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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