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Home > Nitro Compounds > 927565-08-0
927565-08-0 | 2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-5-nitropyridine
CAS No: 927565-08-0 Catalog No: AG00ITAT MDL No:MFCD00170003
Product Description
Catalog Number:
AG00ITAT
Chemical Name:
2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-5-nitropyridine
CAS Number:
927565-08-0
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
MDL Number:
MFCD00170003
IUPAC Name:
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-nitropyridine
InChI:
InChI=1S/C15H14N2O4/c1-15(2)8-10-4-3-5-12(14(10)21-15)20-13-7-6-11(9-16-13)17(18)19/h3-7,9H,8H2,1-2H3
InChI Key:
PQSZSAMMINZFKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)Oc1cccc2c1OC(C2)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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