Home Bromides 10168-58-8
10168-58-8,MFCD11870743
Catalog No.:AA00054G
10168-58-8 | 4-Bromo-3-methylpyridine 1-oxide
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Purity
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250mg
95%
in stock  
$128.00   $90.00
- +
1g
97%
in stock  
$193.00   $135.00
- +
5g
97%
in stock  
$516.00   $361.00
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10g
97%
in stock  
$786.00   $550.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00054G
Chemical Name:
4-Bromo-3-methylpyridine 1-oxide
CAS Number:
10168-58-8
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD11870743
IUPAC Name:
4-bromo-3-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6BrNO/c1-5-4-8(9)3-2-6(5)7/h2-4H,1H3
InChI Key:
KHPKSGWJJIGDTI-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)C)Br
NSC Number:
234297
Properties
Computed Properties
 
Complexity:
99.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
10168-58-8 
4-Bromo-3-methylpyridine 1-oxide 
CTK4A0101 
DTXSID10310920 
3-Methyl-4-bromopyridine 1-oxide 
4-Bromo-3-methylpyridine?1-oxide 
ZINC1761180 
MFCD11870743 
AKOS026674326 
NSC-234297 
AS-20138 
CJ-07062 
4-bromo-3-methylpyridine N-oxide 
4CH-003934 
Z6383 
4-Bromo-3-methyl-1-oxo-1lambda~5~-pyridine 
C6H6BrNO 
CID314741 
Pyridine,4-bromo-3-methyl-, 1-oxide 
4-bromo-3-methyl-1-oxidopyridin-1-ium 
Pyridine, 4-bromo-3-methyl-, 1-oxide 
4-bromo-3-methylpyridine1-oxide 
NSC234297 
AC1L7Q7Z 
SCHEMBL11071521 
Literature
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