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Home > Imidazoles > 27243-32-9
27243-32-9 | 1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-phenyl-
CAS No: 27243-32-9 Catalog No: AG007LN2 MDL No:
Product Description
Catalog Number:
AG007LN2
Chemical Name:
1H-Imidazole-1-propanenitrile, 4,5-dihydro-2-phenyl-
CAS Number:
27243-32-9
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
3-(2-phenyl-4,5-dihydroimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C12H13N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6H,4,8-10H2
InChI Key:
MVZRELGCKHFJGK-UHFFFAOYSA-N
SMILES:
N#CCCN1CCN=C1c1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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