CAS 1772-39-0 | 1H-Benzimidazole, 6-nitro-2-(4-nitrophenyl)- | CAS Number 1772-39-0

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1772-39-0 | 1H-Benzimidazole, 6-nitro-2-(4-nitrophenyl)-

CAS No: 1772-39-0 Catalog No: AG002562 MDL No:

Product Description

Catalog Number:

AG002562

Chemical Name:

1H-Benzimidazole, 6-nitro-2-(4-nitrophenyl)-

CAS Number:

1772-39-0

Molecular Formula:

C13H8N4O4

Molecular Weight:

284.2270

IUPAC Name:

6-nitro-2-(4-nitrophenyl)-1H-benzimidazole

InChI:

InChI=1S/C13H8N4O4/c18-16(19)9-3-1-8(2-4-9)13-14-11-6-5-10(17(20)21)7-12(11)15-13/h1-7H,(H,14,15)

InChI Key:

XJIPBORERCFIIP-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)c1nc2c([nH]1)cc(cc2)[N+](=O)[O-]

EC Number:

217-200-0

NSC Number:

657186

Properties

Complexity:

413

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.231g/mol

Monoisotopic Mass:

284.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
6-Nitrobenzimidazole derivatives: potential phosphodiesterase inhibitors: synthesis and structure-activity relationship.	Bioorganic & medicinal chemistry 20120215
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