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Home > Nitro Compounds > 151293-09-3
151293-09-3 | Oxazole, 4-nitro-2-phenyl-
CAS No: 151293-09-3 Catalog No: AG001N8H MDL No:
Product Description
Catalog Number:
AG001N8H
Chemical Name:
Oxazole, 4-nitro-2-phenyl-
CAS Number:
151293-09-3
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
IUPAC Name:
4-nitro-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C9H6N2O3/c12-11(13)8-6-14-9(10-8)7-4-2-1-3-5-7/h1-6H
InChI Key:
BLLCMHXXPYOXIH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1coc(n1)c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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