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84446-15-1 | Benzamide, 2-bromo-N-(2-chloro-1-oxido-3-pyridinyl)-
CAS No: 84446-15-1 Catalog No: AG004WPQ MDL No:
Product Description
Catalog Number:
AG004WPQ
Chemical Name:
Benzamide, 2-bromo-N-(2-chloro-1-oxido-3-pyridinyl)-
CAS Number:
84446-15-1
Molecular Formula:
C12H8BrClN2O2
Molecular Weight:
327.5611
IUPAC Name:
2-bromo-N-(2-chloro-1-oxidopyridin-1-ium-3-yl)benzamide
InChI:
InChI=1S/C12H8BrClN2O2/c13-9-5-2-1-4-8(9)12(17)15-10-6-3-7-16(18)11(10)14/h1-7H,(H,15,17)
InChI Key:
MIBKNTMFARZPIN-UHFFFAOYSA-N
SMILES:
Clc1c(ccc[n+]1[O-])NC(=O)c1ccccc1Br
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.946g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.562g/mol
Monoisotopic Mass:
325.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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