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Home > Nitro Compounds > 840-37-9
840-37-9 | Benzoxazole, 2-(2-nitrophenyl)-
CAS No: 840-37-9 Catalog No: AG0050L9 MDL No:
Product Description
Catalog Number:
AG0050L9
Chemical Name:
Benzoxazole, 2-(2-nitrophenyl)-
CAS Number:
840-37-9
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
IUPAC Name:
2-(2-nitrophenyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H8N2O3/c16-15(17)11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)18-13/h1-8H
InChI Key:
NBPVEFIYQAYAJW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1nc2c(o1)cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 2-Arylbenzothiazole, benzoxazole and benzimidazole derivatives as fluorogenic substrates for the detection of nitroreductase and aminopeptidase activity in clinically important bacteria. | Bioorganic & medicinal chemistry 20110501 |
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