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Home > Nitro Compounds > 80640-90-0
80640-90-0 | Oxazole, 2-(3,5-dinitrophenyl)-4,5-dihydro-
CAS No: 80640-90-0 Catalog No: AG005256 MDL No:
Product Description
Catalog Number:
AG005256
Chemical Name:
Oxazole, 2-(3,5-dinitrophenyl)-4,5-dihydro-
CAS Number:
80640-90-0
Molecular Formula:
C9H7N3O5
Molecular Weight:
237.1690
IUPAC Name:
2-(3,5-dinitrophenyl)-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C9H7N3O5/c13-11(14)7-3-6(9-10-1-2-17-9)4-8(5-7)12(15)16/h3-5H,1-2H2
InChI Key:
XOKOOTOMAHQURM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C1=NCCO1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.171g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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