Home Nitros 1-(4-nitrophenyl)azepane

1-(4-nitrophenyl)azepane

CAS No.:
13663-23-5
Catalog Number:
AG007M9G
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007M9G
Chemical Name:
1-(4-nitrophenyl)azepane
CAS Number:
13663-23-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD00156364
IUPAC Name:
1-(4-nitrophenyl)azepane
InChI:
InChI=1S/C12H16N2O2/c15-14(16)12-7-5-11(6-8-12)13-9-3-1-2-4-10-13/h5-8H,1-4,9-10H2
InChI Key:
WXAAQKMTSQDMII-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCCCCC1
EC Number:
237-144-0
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties