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Home > Nitro Compounds > 830317-06-1
830317-06-1 | 3-Pyridinol, 4-[(E)-[(4-nitrophenyl)imino]methyl]-
CAS No: 830317-06-1 Catalog No: AG005DJJ MDL No:
Product Description
Catalog Number:
AG005DJJ
Chemical Name:
3-Pyridinol, 4-[(E)-[(4-nitrophenyl)imino]methyl]-
CAS Number:
830317-06-1
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
4-[(4-nitrophenyl)iminomethyl]pyridin-3-ol
InChI:
InChI=1S/C12H9N3O3/c16-12-8-13-6-5-9(12)7-14-10-1-3-11(4-2-10)15(17)18/h1-8,16H
InChI Key:
LRSUXKUWWHZOAG-UHFFFAOYSA-N
SMILES:
Oc1cnccc1/C=N/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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