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1054315-49-9 | tert-butyl 4-(4-amino-3-methyl-5-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate
CAS No: 1054315-49-9 Catalog No: AG003AD9 MDL No:
Product Description
Catalog Number:
AG003AD9
Chemical Name:
tert-butyl 4-(4-amino-3-methyl-5-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate
CAS Number:
1054315-49-9
Molecular Formula:
C17H23N3O4
Molecular Weight:
333.3822
IUPAC Name:
tert-butyl 4-(4-amino-3-methyl-5-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C17H23N3O4/c1-11-9-13(10-14(15(11)18)20(22)23)12-5-7-19(8-6-12)16(21)24-17(2,3)4/h5,9-10H,6-8,18H2,1-4H3
InChI Key:
JQEFXEHWZZAJIO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1)c1cc(C)c(c(c1)[N+](=O)[O-])N)OC(C)(C)C
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.388g/mol
Monoisotopic Mass:
333.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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