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Home > Nitro Compounds > 143675-94-9
143675-94-9 | Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-
CAS No: 143675-94-9 Catalog No: AG001I5Q MDL No:
Product Description
Catalog Number:
AG001I5Q
Chemical Name:
Benzamide, 2-(hexahydro-1H-azepin-1-yl)-5-nitro-
CAS Number:
143675-94-9
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
2-(azepan-1-yl)-5-nitrobenzamide
InChI:
InChI=1S/C13H17N3O3/c14-13(17)11-9-10(16(18)19)5-6-12(11)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H2,14,17)
InChI Key:
OMFFXESCTUPWJZ-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(ccc1N1CCCCCC1)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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