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Home > Nitro Compounds > 420812-64-2
420812-64-2 | 1-(4-nitrobenzoyl)piperidine-4-carboxamide
CAS No: 420812-64-2 Catalog No: AG00INHE MDL No:MFCD00861248
Product Description
Catalog Number:
AG00INHE
Chemical Name:
1-(4-nitrobenzoyl)piperidine-4-carboxamide
CAS Number:
420812-64-2
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
MDL Number:
MFCD00861248
IUPAC Name:
1-(4-nitrobenzoyl)piperidine-4-carboxamide
InChI:
InChI=1S/C13H15N3O4/c14-12(17)9-5-7-15(8-6-9)13(18)10-1-3-11(4-2-10)16(19)20/h1-4,9H,5-8H2,(H2,14,17)
InChI Key:
WTRQTFDCQZCLFL-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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