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Home > Nitro Compounds > 72617-83-5
72617-83-5 | 2-(1,1-DIMETHYLETHOXY)-5-NITRO-PYRIDINE
CAS No: 72617-83-5 Catalog No: AG005FSP MDL No:
Product Description
Catalog Number:
AG005FSP
Chemical Name:
2-(1,1-DIMETHYLETHOXY)-5-NITRO-PYRIDINE
CAS Number:
72617-83-5
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]-5-nitropyridine
InChI:
InChI=1S/C9H12N2O3/c1-9(2,3)14-8-5-4-7(6-10-8)11(12)13/h4-6H,1-3H3
InChI Key:
GFVZPYNNDUUGJP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)OC(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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