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92555-02-7

92555-02-7 | (1-BENZYL-5-NITRO-1H-BENZIMIDAZOL-2-YL)METHANOL

CAS No: 92555-02-7 Catalog No: AG0064FF MDL No:

Product Description

Catalog Number:
AG0064FF
Chemical Name:
(1-BENZYL-5-NITRO-1H-BENZIMIDAZOL-2-YL)METHANOL
CAS Number:
92555-02-7
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
IUPAC Name:
(1-benzyl-5-nitrobenzimidazol-2-yl)methanol
InChI:
InChI=1S/C15H13N3O3/c19-10-15-16-13-8-12(18(20)21)6-7-14(13)17(15)9-11-4-2-1-3-5-11/h1-8,19H,9-10H2
InChI Key:
AIFMIOUEZIFEAH-UHFFFAOYSA-N
SMILES:
OCc1nc2c(n1Cc1ccccc1)ccc(c2)[N+](=O)[O-]

Properties

Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
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

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