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Home > Nitro Compounds > 115294-78-5
115294-78-5 | Methanone, 7-azabicyclo[4.1.0]hept-7-yl(3-nitrophenyl)-
CAS No: 115294-78-5 Catalog No: AG000GKF MDL No:
Product Description
Catalog Number:
AG000GKF
Chemical Name:
Methanone, 7-azabicyclo[4.1.0]hept-7-yl(3-nitrophenyl)-
CAS Number:
115294-78-5
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
7-azabicyclo[4.1.0]heptan-7-yl-(3-nitrophenyl)methanone
InChI:
InChI=1S/C13H14N2O3/c16-13(14-11-6-1-2-7-12(11)14)9-4-3-5-10(8-9)15(17)18/h3-5,8,11-12H,1-2,6-7H2
InChI Key:
MGTYRMCYJSFMOL-UHFFFAOYSA-N
SMILES:
O=C(N1C2C1CCCC2)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
354
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:
65.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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