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112808-94-3 | Benzonitrile, 4-[1-(1H-imidazol-1-yl)-2-methylpropyl]-
CAS No: 112808-94-3 Catalog No: AG007S7D MDL No:
Product Description
Catalog Number:
AG007S7D
Chemical Name:
Benzonitrile, 4-[1-(1H-imidazol-1-yl)-2-methylpropyl]-
CAS Number:
112808-94-3
Molecular Formula:
C14H15N3
Molecular Weight:
225.2890
IUPAC Name:
4-(1-imidazol-1-yl-2-methylpropyl)benzonitrile
InChI:
InChI=1S/C14H15N3/c1-11(2)14(17-8-7-16-10-17)13-5-3-12(9-15)4-6-13/h3-8,10-11,14H,1-2H3
InChI Key:
YBYMXQRTZLBHHN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(n1cncc1)C(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.295g/mol
Monoisotopic Mass:
225.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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