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Home > Nitro Compounds > 23562-64-3
23562-64-3 | Pyridinium, 1-[(2-hydroxy-5-nitrophenyl)methyl]-, chloride (1:1)
CAS No: 23562-64-3 Catalog No: AG002NO8 MDL No:
Product Description
Catalog Number:
AG002NO8
Chemical Name:
Pyridinium, 1-[(2-hydroxy-5-nitrophenyl)methyl]-, chloride (1:1)
CAS Number:
23562-64-3
Molecular Formula:
C12H11ClN2O3
Molecular Weight:
266.6803
IUPAC Name:
4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol;chloride
InChI:
InChI=1S/C12H10N2O3.ClH/c15-12-5-4-11(14(16)17)8-10(12)9-13-6-2-1-3-7-13;/h1-8H,9H2;1H
InChI Key:
YJVLGRCYHQFDQM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C[n+]1ccccc1)[N+](=O)[O-].[Cl-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.681g/mol
Monoisotopic Mass:
266.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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