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84596-52-1 | 2-Pyridinamine, 5-(4-chlorophenyl)-, 1-oxide
CAS No: 84596-52-1 Catalog No: AG004UB7 MDL No:
Product Description
Catalog Number:
AG004UB7
Chemical Name:
2-Pyridinamine, 5-(4-chlorophenyl)-, 1-oxide
CAS Number:
84596-52-1
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
IUPAC Name:
5-(4-chlorophenyl)-1-hydroxypyridin-2-imine
InChI:
InChI=1S/C11H9ClN2O/c12-10-4-1-8(2-5-10)9-3-6-11(13)14(15)7-9/h1-7,13,15H
InChI Key:
YWJNFNITTZHYMQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ccc([n+](c1)[O-])N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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