CAS 94-52-0 | 5-Nitro-1H-benzo[d]imidazole | CAS Number 94-52-0

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94-52-0 | 5-Nitro-1H-benzo[d]imidazole

CAS No: 94-52-0 Catalog No: AG00H6C2 MDL No:MFCD00005604

Product Description

Catalog Number:

AG00H6C2

Chemical Name:

5-Nitro-1H-benzo[d]imidazole

CAS Number:

94-52-0

Molecular Formula:

C7H5N3O2

Molecular Weight:

163.1335

MDL Number:

MFCD00005604

IUPAC Name:

6-nitro-1H-benzimidazole

InChI:

InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)

InChI Key:

XPAZGLFMMUODDK-UHFFFAOYSA-N

SMILES:

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

EC Number:

202-341-2

UNII:

A7V95AYT2T

RTECS Number:

DD9800000

UN Number:

2811

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.136g/mol

Monoisotopic Mass:

163.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
6-Nitrobenzimidazole derivatives: potential phosphodiesterase inhibitors: synthesis and structure-activity relationship.	Bioorganic & medicinal chemistry 20120215
6-Nitro-benzimidazolium dihydrogen phosphate 6-nitro-benzimidazole solvate dihydrate.	Acta crystallographica. Section E, Structure reports online 20100701
The screening and characterization of 6-aminopurine-based xanthine oxidase inhibitors.	Bioorganic & medicinal chemistry 20070515
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
Facile polymerization of dNTPs bearing unnatural base analogues by DNA polymerase alpha and Klenow fragment (DNA polymerase I).	Biochemistry 20030909
Proton-block strategy for the synthesis of oligodeoxynucleotides without base protection, capping reaction, and P-N bond cleavage reaction.	The Journal of organic chemistry 20030711