CAS 93-84-5 | 5-Nitro-1H-benzo[d]imidazol-2(3H);-one | CAS Number 93-84-5

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93-84-5 | 5-Nitro-1H-benzo[d]imidazol-2(3H);-one

CAS No: 93-84-5 Catalog No: AG003MWR MDL No:MFCD00220274

Product Description

Catalog Number:

AG003MWR

Chemical Name:

5-Nitro-1H-benzo[d]imidazol-2(3H);-one

CAS Number:

93-84-5

Molecular Formula:

C7H5N3O3

Molecular Weight:

179.1329

MDL Number:

MFCD00220274

IUPAC Name:

5-nitro-1,3-dihydrobenzimidazol-2-one

InChI:

InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)

InChI Key:

DLJZIPVEVJOKHB-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)[nH]c(=O)[nH]2

EC Number:

202-282-2

NSC Number:

10380

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.135g/mol

Monoisotopic Mass:

179.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase.	Bioorganic & medicinal chemistry 20120501
1-Decyl-6-nitro-1H-benzimidazol-2(3H)-one.	Acta crystallographica. Section E, Structure reports online 20111101
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