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114523-59-0 | 1H-Imidazole-5-carbonitrile, 4,5-dihydro-2-(4-methylphenyl)-
CAS No: 114523-59-0 Catalog No: AG000EN7 MDL No:
Product Description
Catalog Number:
AG000EN7
Chemical Name:
1H-Imidazole-5-carbonitrile, 4,5-dihydro-2-(4-methylphenyl)-
CAS Number:
114523-59-0
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
IUPAC Name:
2-(4-methylphenyl)-4,5-dihydro-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)11-13-7-10(6-12)14-11/h2-5,10H,7H2,1H3,(H,13,14)
InChI Key:
DGCDRAUDFOLJMZ-UHFFFAOYSA-N
SMILES:
N#CC1CN=C(N1)c1ccc(cc1)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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