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Home > Nitro Compounds > 1287218-47-6
1287218-47-6 | 3-Nitro-2-(tetrahydro-2H-pyran-2-ylmethoxy)pyridine
CAS No: 1287218-47-6 Catalog No: AG01F8QM MDL No:
Product Description
Catalog Number:
AG01F8QM
Chemical Name:
3-Nitro-2-(tetrahydro-2H-pyran-2-ylmethoxy)pyridine
CAS Number:
1287218-47-6
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
3-nitro-2-(oxan-2-ylmethoxy)pyridine
InChI:
InChI=1S/C11H14N2O4/c14-13(15)10-5-3-6-12-11(10)17-8-9-4-1-2-7-16-9/h3,5-6,9H,1-2,4,7-8H2
InChI Key:
VUTVSWRKFGCLRI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1OCC1CCCCO1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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