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Home > Nitro Compounds > 3164-28-1
3164-28-1 | 6-nitro-2-phenyl-1,3-benzoxazole
CAS No: 3164-28-1 Catalog No: AG00JIY0 MDL No:MFCD00628949
Product Description
Catalog Number:
AG00JIY0
Chemical Name:
6-nitro-2-phenyl-1,3-benzoxazole
CAS Number:
3164-28-1
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD00628949
IUPAC Name:
6-nitro-2-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C13H8N2O3/c16-15(17)10-6-7-11-12(8-10)18-13(14-11)9-4-2-1-3-5-9/h1-8H
InChI Key:
AYJKXHHUESVOBM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)oc(n2)c1ccccc1
Properties
Complexity:
312
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 |
|---|---|
| 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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