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33583-13-0 | 4-Benzhydryl-pyridine 1-oxide
CAS No: 33583-13-0 Catalog No: AG01FF7R MDL No:MFCD06637732
Product Description
Catalog Number:
AG01FF7R
Chemical Name:
4-Benzhydryl-pyridine 1-oxide
CAS Number:
33583-13-0
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
MDL Number:
MFCD06637732
IUPAC Name:
4-benzhydryl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C18H15NO/c20-19-13-11-17(12-14-19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H
InChI Key:
OCPWHHPNXAMDEA-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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