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77502-44-4 | Benzamide, 4-chloro-N-[(1-oxido-4-pyridinyl)methyl]-
CAS No: 77502-44-4 Catalog No: AG005HGA MDL No:
Product Description
Catalog Number:
AG005HGA
Chemical Name:
Benzamide, 4-chloro-N-[(1-oxido-4-pyridinyl)methyl]-
CAS Number:
77502-44-4
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
IUPAC Name:
4-chloro-N-[(1-oxidopyridin-1-ium-4-yl)methyl]benzamide
InChI:
InChI=1S/C13H11ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-9-10-5-7-16(18)8-6-10/h1-8H,9H2,(H,15,17)
InChI Key:
KBGSSQUXYUQDGK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)NCc1cc[n+](cc1)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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