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Home > Nitro Compounds > 1238518-41-6
1238518-41-6 | 6-(4-nitrophenyl)-3-azabicyclo[3.2.0]heptane
CAS No: 1238518-41-6 Catalog No: AG01BZPV MDL No:MFCD30488830
Product Description
Catalog Number:
AG01BZPV
Chemical Name:
6-(4-nitrophenyl)-3-azabicyclo[3.2.0]heptane
CAS Number:
1238518-41-6
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD30488830
IUPAC Name:
6-(4-nitrophenyl)-3-azabicyclo[3.2.0]heptane
InChI:
InChI=1S/C12H14N2O2/c15-14(16)10-3-1-8(2-4-10)11-5-9-6-13-7-12(9)11/h1-4,9,11-13H,5-7H2
InChI Key:
CDWPCUWAPIPTCY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1CC2C1CNC2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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