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22362-66-9 | 1-(3,5-Dibromo-2-hydroxyphenyl)ethanone
CAS No: 22362-66-9 Catalog No: AG003IKV MDL No:MFCD00191992
Product Description
Catalog Number:
AG003IKV
Chemical Name:
1-(3,5-Dibromo-2-hydroxyphenyl)ethanone
CAS Number:
22362-66-9
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
MDL Number:
MFCD00191992
IUPAC Name:
1-(3,5-dibromo-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6Br2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChI Key:
RCKHUOIKVIOMGZ-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)C(=O)C)O
NSC Number:
115706
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.871g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.942g/mol
Monoisotopic Mass:
291.873g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone. | Acta crystallographica. Section E, Structure reports online 20120101 |
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