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72284-54-9 | DIETHYL 1-BENZYL-2,6-DIMETHYL-4-(2-NITROPHENYL)-4H-PYRIDINE-3,5-DICARBOXYLATE
CAS No: 72284-54-9 Catalog No: AG005IEA MDL No:
Product Description
Catalog Number:
AG005IEA
Chemical Name:
DIETHYL 1-BENZYL-2,6-DIMETHYL-4-(2-NITROPHENYL)-4H-PYRIDINE-3,5-DICARBOXYLATE
CAS Number:
72284-54-9
Molecular Formula:
C26H28N2O6
Molecular Weight:
464.5103
IUPAC Name:
diethyl 1-benzyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
InChI:
InChI=1S/C26H28N2O6/c1-5-33-25(29)22-17(3)27(16-19-12-8-7-9-13-19)18(4)23(26(30)34-6-2)24(22)20-14-10-11-15-21(20)28(31)32/h7-15,24H,5-6,16H2,1-4H3
InChI Key:
CPMWKRLSVXKCBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC)C
Properties
Complexity:
795
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.195g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.518g/mol
Monoisotopic Mass:
464.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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