CAS 10041-06-2 | Ethanone, 1-[4-(1H-imidazol-1-yl)phenyl]- | CAS Number 10041-06-2

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10041-06-2 | Ethanone, 1-[4-(1H-imidazol-1-yl)phenyl]-

CAS No: 10041-06-2 Catalog No: AG0001XJ MDL No:MFCD00005282

Product Description

Catalog Number:

AG0001XJ

Chemical Name:

Ethanone, 1-[4-(1H-imidazol-1-yl)phenyl]-

CAS Number:

10041-06-2

Molecular Formula:

C11H10N2O

Molecular Weight:

186.2099

MDL Number:

MFCD00005282

IUPAC Name:

1-(4-imidazol-1-ylphenyl)ethanone

InChI:

InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3

InChI Key:

GAIQQJIMVVUTQN-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(cc1)n1cncc1

EC Number:

233-123-5

Properties

Complexity:

209

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.214g/mol

Monoisotopic Mass:

186.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
1-[4-(1H-imidazol-1-yl)phen-yl]ethanone monohydrate.	Acta crystallographica. Section E, Structure reports online 20120701
Tetra-kis{1-[4-(1H-imidazol-1-yl-κN(3))phen-yl]ethanone}bis-(isothio-cyanato-κN)nickel(II).	Acta crystallographica. Section E, Structure reports online 20120701
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501