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Home > Nitro Compounds > 57499-86-2
57499-86-2 | Piperidine, 1-(3,5-dinitrobenzoyl)-
CAS No: 57499-86-2 Catalog No: AG00IA8X MDL No:MFCD00428083
Product Description
Catalog Number:
AG00IA8X
Chemical Name:
Piperidine, 1-(3,5-dinitrobenzoyl)-
CAS Number:
57499-86-2
Molecular Formula:
C12H13N3O5
Molecular Weight:
279.2487
MDL Number:
MFCD00428083
IUPAC Name:
(3,5-dinitrophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C12H13N3O5/c16-12(13-4-2-1-3-5-13)9-6-10(14(17)18)8-11(7-9)15(19)20/h6-8H,1-5H2
InChI Key:
OLDIZVYVZUAMIZ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.252g/mol
Monoisotopic Mass:
279.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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