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Home > Nitro Compounds > 92028-79-0
92028-79-0 | 5-nitro-6-phenylbicyclo[2.2.1]hept-2-ene
CAS No: 92028-79-0 Catalog No: AG01DK0R MDL No:
Product Description
Catalog Number:
AG01DK0R
Chemical Name:
5-nitro-6-phenylbicyclo[2.2.1]hept-2-ene
CAS Number:
92028-79-0
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
5-nitro-6-phenylbicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C13H13NO2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8H2
InChI Key:
ABLIRAIUNBLRPK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1C2C=CC(C1c1ccccc1)C2
NSC Number:
149831
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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