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Home > Nitro Compounds > 86215-45-4
86215-45-4 | 3-Azabicyclo[3.1.0]hexane, 1-(4-nitrophenyl)-
CAS No: 86215-45-4 Catalog No: AG004K2F MDL No:MFCD17977240
Product Description
Catalog Number:
AG004K2F
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-(4-nitrophenyl)-
CAS Number:
86215-45-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD17977240
IUPAC Name:
1-(4-nitrophenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C11H12N2O2/c14-13(15)10-3-1-8(2-4-10)11-5-9(11)6-12-7-11/h1-4,9,12H,5-7H2
InChI Key:
WYVXKKHXLDXLOM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C12CNCC2C1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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