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5709-67-1

5709-67-1 | 1H-Benzimidazole,2-nitro-(9CI)

CAS No: 5709-67-1 Catalog No: AG00EWKO MDL No:MFCD01658589

Product Description

Catalog Number:
AG00EWKO
Chemical Name:
1H-Benzimidazole,2-nitro-(9CI)
CAS Number:
5709-67-1
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD01658589
IUPAC Name:
2-nitro-1H-benzimidazole
InChI:
InChI=1S/C7H5N3O2/c11-10(12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)
InChI Key:
KRTDQDCPEZRVGC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc2c([nH]1)cccc2
NSC Number:
107509

Properties

Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Literature

Title Journal
6-Nitrobenzimidazole derivatives: potential phosphodiesterase inhibitors: synthesis and structure-activity relationship. Bioorganic & medicinal chemistry 20120215
Synthesis of new pyrrolo[2,3-d]pyrimidine derivatives and evaluation of their activities against human colon cancer cell lines. European journal of medicinal chemistry 20100401
Transition from long- to short-lived transient pores in giant vesicles in an aqueous medium. Physical review. E, Statistical, nonlinear, and soft matter physics 20061201
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
Synthesis and preliminary biological evaluation of the 99mTc labeled nitrobenzoimidazole and nitrotriazole as tumor hypoxia markers. Bioorganic & medicinal chemistry letters 20060401
Synthesis of nucleotide analogues that potently and selectively inhibit human DNA primase. Biochemistry 20021126

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