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87780-36-7 | 2-Pyridinamine, N-[(4-chlorophenyl)methylene]-, 1-oxide
CAS No: 87780-36-7 Catalog No: AG004FAJ MDL No:
Product Description
Catalog Number:
AG004FAJ
Chemical Name:
2-Pyridinamine, N-[(4-chlorophenyl)methylene]-, 1-oxide
CAS Number:
87780-36-7
Molecular Formula:
C12H9ClN2O
Molecular Weight:
232.6657
IUPAC Name:
1-(4-chlorophenyl)-N-(1-oxidopyridin-1-ium-2-yl)methanimine
InChI:
InChI=1S/C12H9ClN2O/c13-11-6-4-10(5-7-11)9-14-12-3-1-2-8-15(12)16/h1-9H
InChI Key:
HGSKFIHKBDZIOA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=Nc1cccc[n+]1[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.667g/mol
Monoisotopic Mass:
232.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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