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Home > Nitro Compounds > 1233953-05-3
1233953-05-3 | 4-Nitro-N-(piperidine-4-yl)benzamide hydrochloride
CAS No: 1233953-05-3 Catalog No: AG01F8YM MDL No:
Product Description
Catalog Number:
AG01F8YM
Chemical Name:
4-Nitro-N-(piperidine-4-yl)benzamide hydrochloride
CAS Number:
1233953-05-3
Molecular Formula:
C12H16ClN3O3
Molecular Weight:
285.7267
IUPAC Name:
4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
InChI:
InChI=1S/C12H15N3O3.ClH/c16-12(14-10-5-7-13-8-6-10)9-1-3-11(4-2-9)15(17)18;/h1-4,10,13H,5-8H2,(H,14,16);1H
InChI Key:
KLOJNYKWKGFYNJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NC1CCNCC1.Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.728g/mol
Monoisotopic Mass:
285.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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