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Home > Nitro Compounds > 825619-00-9
825619-00-9 | Piperidine, 4-(3,4-dinitrophenoxy)-1-methyl-
CAS No: 825619-00-9 Catalog No: AG005DWT MDL No:
Product Description
Catalog Number:
AG005DWT
Chemical Name:
Piperidine, 4-(3,4-dinitrophenoxy)-1-methyl-
CAS Number:
825619-00-9
Molecular Formula:
C12H15N3O5
Molecular Weight:
281.2646
IUPAC Name:
4-(3,4-dinitrophenoxy)-1-methylpiperidine
InChI:
InChI=1S/C12H15N3O5/c1-13-6-4-9(5-7-13)20-10-2-3-11(14(16)17)12(8-10)15(18)19/h2-3,8-9H,4-7H2,1H3
InChI Key:
KCZBOLQFLNRMNN-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.268g/mol
Monoisotopic Mass:
281.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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