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Home > Nitro Compounds > 882682-08-8
882682-08-8 | Pyridine, 4-(1,3-benzodioxol-5-ylmethoxy)-3-nitro-
CAS No: 882682-08-8 Catalog No: AG0049YT MDL No:
Product Description
Catalog Number:
AG0049YT
Chemical Name:
Pyridine, 4-(1,3-benzodioxol-5-ylmethoxy)-3-nitro-
CAS Number:
882682-08-8
Molecular Formula:
C13H10N2O5
Molecular Weight:
274.2289
IUPAC Name:
4-(1,3-benzodioxol-5-ylmethoxy)-3-nitropyridine
InChI:
InChI=1S/C13H10N2O5/c16-15(17)10-6-14-4-3-11(10)18-7-9-1-2-12-13(5-9)20-8-19-12/h1-6H,7-8H2
InChI Key:
FHIHXOQHVRAKFJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1OCc1ccc2c(c1)OCO2
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.232g/mol
Monoisotopic Mass:
274.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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