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Home > Nitro Compounds > 2060020-12-2
2060020-12-2 | 6-(2-nitrophenyl)-3-azabicyclo[3.2.0]heptane
CAS No: 2060020-12-2 Catalog No: AG01BZQ1 MDL No:MFCD30488834
Product Description
Catalog Number:
AG01BZQ1
Chemical Name:
6-(2-nitrophenyl)-3-azabicyclo[3.2.0]heptane
CAS Number:
2060020-12-2
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD30488834
IUPAC Name:
6-(2-nitrophenyl)-3-azabicyclo[3.2.0]heptane
InChI:
InChI=1S/C12H14N2O2/c15-14(16)12-4-2-1-3-9(12)10-5-8-6-13-7-11(8)10/h1-4,8,10-11,13H,5-7H2
InChI Key:
JXPDUVOHBLUOTB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1CC2C1CNC2
Properties
Complexity:
289
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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