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Home > Nitro Compounds > 14468-76-9
14468-76-9 | 2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-
CAS No: 14468-76-9 Catalog No: AG001JZV MDL No:
Product Description
Catalog Number:
AG001JZV
Chemical Name:
2H-Azepin-2-one, hexahydro-1-(4-nitrobenzoyl)-
CAS Number:
14468-76-9
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
IUPAC Name:
1-(4-nitrobenzoyl)azepan-2-one
InChI:
InChI=1S/C13H14N2O4/c16-12-4-2-1-3-9-14(12)13(17)10-5-7-11(8-6-10)15(18)19/h5-8H,1-4,9H2
InChI Key:
FQKPBKBZRUQTEB-UHFFFAOYSA-N
SMILES:
O=C1CCCCCN1C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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