CAS 1571-85-3 | 1H-BENZIMIDAZOLE, 6-NITRO-2-PHENYL- | CAS Number 1571-85-3

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1571-85-3 | 1H-BENZIMIDAZOLE, 6-NITRO-2-PHENYL-

CAS No: 1571-85-3 Catalog No: AG001P8I MDL No:

Product Description

Catalog Number:

AG001P8I

Chemical Name:

1H-BENZIMIDAZOLE, 6-NITRO-2-PHENYL-

CAS Number:

1571-85-3

Molecular Formula:

C13H9N3O2

Molecular Weight:

239.2295

IUPAC Name:

6-nitro-2-phenyl-1H-benzimidazole

InChI:

InChI=1S/C13H9N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)

InChI Key:

FHOXCSDDMCCTPM-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1ccccc1

Properties

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.234g/mol

Monoisotopic Mass:

239.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
6-Nitrobenzimidazole derivatives: potential phosphodiesterase inhibitors: synthesis and structure-activity relationship.	Bioorganic & medicinal chemistry 20120215
Synthesis, vasorelaxant activity and antihypertensive effect of benzo[d]imidazole derivatives.	Bioorganic & medicinal chemistry 20100601
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