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123792-44-9 | Pyridine, 5-bromo-2-[(1,1-dimethylethyl)sulfonyl]-
CAS No: 123792-44-9 Catalog No: AG000L2Z MDL No:MFCD22196691
Product Description
Catalog Number:
AG000L2Z
Chemical Name:
Pyridine, 5-bromo-2-[(1,1-dimethylethyl)sulfonyl]-
CAS Number:
123792-44-9
Molecular Formula:
C9H12BrNO2S
Molecular Weight:
278.1661
MDL Number:
MFCD22196691
IUPAC Name:
5-bromo-2-tert-butylsulfonylpyridine
InChI:
InChI=1S/C9H12BrNO2S/c1-9(2,3)14(12,13)8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChI Key:
HQNOLAFNFWKITI-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)S(=O)(=O)C(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.977g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.164g/mol
Monoisotopic Mass:
276.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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