CAS 25372-03-6 | 4-(1H-imidazol-1-yl)benzonitrile | CAS Number 25372-03-6

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25372-03-6 | 4-(1H-imidazol-1-yl)benzonitrile

CAS No: 25372-03-6 Catalog No: AG007NDT MDL No:MFCD00127147

Product Description

Catalog Number:

AG007NDT

Chemical Name:

4-(1H-imidazol-1-yl)benzonitrile

CAS Number:

25372-03-6

Molecular Formula:

C10H7N3

Molecular Weight:

169.1827

MDL Number:

MFCD00127147

IUPAC Name:

4-imidazol-1-ylbenzonitrile

InChI:

InChI=1S/C10H7N3/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13/h1-6,8H

InChI Key:

GYFGZFJGMRRTTP-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1cncc1

Properties

Complexity:

210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.187g/mol

Monoisotopic Mass:

169.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
DNA binding and topoisomerase II inhibitory activity of water-soluble ruthenium(II) and rhodium(III) complexes.	Inorganic chemistry 20071210
Luminescent piano-stool complexes incorporating 1-(4-cyanophenyl)imidazole: synthesis, spectral, and structural studies.	Inorganic chemistry 20041227