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Home > Nitro Compounds > 2044705-03-3
2044705-03-3 | 3-(benzyloxy)-2-methyl-6-nitropyridine
CAS No: 2044705-03-3 Catalog No: AG01DHH2 MDL No:
Product Description
Catalog Number:
AG01DHH2
Chemical Name:
3-(benzyloxy)-2-methyl-6-nitropyridine
CAS Number:
2044705-03-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
2-methyl-6-nitro-3-phenylmethoxypyridine
InChI:
InChI=1S/C13H12N2O3/c1-10-12(7-8-13(14-10)15(16)17)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
SPYBFRUNLBOOEN-UHFFFAOYSA-N
SMILES:
Cc1nc(ccc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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