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Home > Bromides > 19230-58-1

19230-58-1

19230-58-1 | Pyridine, 2-bromo-5-methyl-, 1-oxide

CAS No: 19230-58-1 Catalog No: AG002FTG MDL No:MFCD11052562

Product Description

Catalog Number:
AG002FTG
Chemical Name:
Pyridine, 2-bromo-5-methyl-, 1-oxide
CAS Number:
19230-58-1
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD11052562
IUPAC Name:
2-bromo-5-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6BrNO/c1-5-2-3-6(7)8(9)4-5/h2-4H,1H3
InChI Key:
PJPYKXAQHIYIFY-UHFFFAOYSA-N
SMILES:
Cc1ccc([n+](c1)[O-])Br

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:
1.2  

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