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Home > Nitro Compounds > 204507-45-9
204507-45-9 | Methanone, 7-azabicyclo[2.2.1]hept-7-yl(4-nitrophenyl)-
CAS No: 204507-45-9 Catalog No: AG0029J1 MDL No:
Product Description
Catalog Number:
AG0029J1
Chemical Name:
Methanone, 7-azabicyclo[2.2.1]hept-7-yl(4-nitrophenyl)-
CAS Number:
204507-45-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
7-azabicyclo[2.2.1]heptan-7-yl-(4-nitrophenyl)methanone
InChI:
InChI=1S/C13H14N2O3/c16-13(14-10-5-6-11(14)8-7-10)9-1-3-12(4-2-9)15(17)18/h1-4,10-11H,5-8H2
InChI Key:
OLBNDIWDLFQEPP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1C2CCC1CC2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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