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Home > Nitro Compounds > 887595-25-7
887595-25-7 | 1H-Azepine,hexahydro-1-(3-nitrophenyl)-
CAS No: 887595-25-7 Catalog No: AG004B9Q MDL No:
Product Description
Catalog Number:
AG004B9Q
Chemical Name:
1H-Azepine,hexahydro-1-(3-nitrophenyl)-
CAS Number:
887595-25-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
1-(3-nitrophenyl)azepane
InChI:
InChI=1S/C12H16N2O2/c15-14(16)12-7-5-6-11(10-12)13-8-3-1-2-4-9-13/h5-7,10H,1-4,8-9H2
InChI Key:
GZIFTZLAJWUXMD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N1CCCCCC1
Properties
Complexity:
232
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
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