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Home > Nitro Compounds > 60212-38-6
60212-38-6 | 1-(2,4-dinitrophenyl)-4-methylpiperidine
CAS No: 60212-38-6 Catalog No: AG01CB08 MDL No:MFCD00087241
Product Description
Catalog Number:
AG01CB08
Chemical Name:
1-(2,4-dinitrophenyl)-4-methylpiperidine
CAS Number:
60212-38-6
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
MDL Number:
MFCD00087241
IUPAC Name:
1-(2,4-dinitrophenyl)-4-methylpiperidine
InChI:
InChI=1S/C12H15N3O4/c1-9-4-6-13(7-5-9)11-3-2-10(14(16)17)8-12(11)15(18)19/h2-3,8-9H,4-7H2,1H3
InChI Key:
LPAFXOVGEHCOSB-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
158377
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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