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Home > Nitro Compounds > 861673-67-8
861673-67-8 | Pyridine, 2-[2-(1,1-dimethylethyl)phenoxy]-3-nitro-
CAS No: 861673-67-8 Catalog No: AG004TJB MDL No:
Product Description
Catalog Number:
AG004TJB
Chemical Name:
Pyridine, 2-[2-(1,1-dimethylethyl)phenoxy]-3-nitro-
CAS Number:
861673-67-8
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
2-(2-tert-butylphenoxy)-3-nitropyridine
InChI:
InChI=1S/C15H16N2O3/c1-15(2,3)11-7-4-5-9-13(11)20-14-12(17(18)19)8-6-10-16-14/h4-10H,1-3H3
InChI Key:
QSJUPCKYNOFKBT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1Oc1ccccc1C(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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