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Home > Nitro Compounds > 52090-27-4
52090-27-4 | 1-(2-methyl-3,5-dinitrobenzoyl)piperidine
CAS No: 52090-27-4 Catalog No: AG00JGNF MDL No:MFCD00416597
Product Description
Catalog Number:
AG00JGNF
Chemical Name:
1-(2-methyl-3,5-dinitrobenzoyl)piperidine
CAS Number:
52090-27-4
Molecular Formula:
C13H15N3O5
Molecular Weight:
293.2753
MDL Number:
MFCD00416597
IUPAC Name:
(2-methyl-3,5-dinitrophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C13H15N3O5/c1-9-11(13(17)14-5-3-2-4-6-14)7-10(15(18)19)8-12(9)16(20)21/h7-8H,2-6H2,1H3
InChI Key:
NYUIMWZLXPIUTJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)N2CCCCC2)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.279g/mol
Monoisotopic Mass:
293.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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