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136592-20-6 | Ethanone, 2-bromo-1-(6-bromo-3-pyridinyl)-
CAS No: 136592-20-6 Catalog No: AG00124J MDL No:MFCD09746035
Product Description
Catalog Number:
AG00124J
Chemical Name:
Ethanone, 2-bromo-1-(6-bromo-3-pyridinyl)-
CAS Number:
136592-20-6
Molecular Formula:
C7H5Br2NO
Molecular Weight:
278.9287
MDL Number:
MFCD09746035
IUPAC Name:
2-bromo-1-(6-bromopyridin-3-yl)ethanone
InChI:
InChI=1S/C7H5Br2NO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4H,3H2
InChI Key:
GKIVTCCIHVRWJJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(nc1)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.872g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.931g/mol
Monoisotopic Mass:
276.874g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2-(6-Bromo-3-pyrid-yl)-8-methyl-imidazo[1,2-a]pyrazine. | Acta crystallographica. Section E, Structure reports online 20100701 |
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