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49669-13-8 | 2-Acetyl-6-bromopyridine
CAS No: 49669-13-8 Catalog No: AG003GB4 MDL No:MFCD00272200
Product Description
Catalog Number:
AG003GB4
Chemical Name:
2-Acetyl-6-bromopyridine
CAS Number:
49669-13-8
Molecular Formula:
C7H6BrNO
Molecular Weight:
200.0326
MDL Number:
MFCD00272200
IUPAC Name:
1-(6-bromopyridin-2-yl)ethanone
InChI:
InChI=1S/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3
InChI Key:
RUJTWTUYVOEEFW-UHFFFAOYSA-N
SMILES:
Brc1cccc(n1)C(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.035g/mol
Monoisotopic Mass:
198.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| 1-[6-(6-Acetyl-pyridin-2-yl)pyridin-2-yl]ethanone. | Acta crystallographica. Section E, Structure reports online 20110601 |
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