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Home > Bromides > 1279106-02-3
1279106-02-3 | Pyridine, 5-bromo-4-methyl-2-(methylsulfonyl)-
CAS No: 1279106-02-3 Catalog No: AG000XJJ MDL No:
Product Description
Catalog Number:
AG000XJJ
Chemical Name:
Pyridine, 5-bromo-4-methyl-2-(methylsulfonyl)-
CAS Number:
1279106-02-3
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
IUPAC Name:
5-bromo-4-methyl-2-methylsulfonylpyridine
InChI:
InChI=1S/C7H8BrNO2S/c1-5-3-7(12(2,10)11)9-4-6(5)8/h3-4H,1-2H3
InChI Key:
QRUHXFFHUQCWGD-UHFFFAOYSA-N
SMILES:
Brc1cnc(cc1C)S(=O)(=O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.11g/mol
Monoisotopic Mass:
248.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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