Home Halogens Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy-

Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy-

CAS No.:
2973-75-3
Catalog Number:
AG002Z8W
Molecular Formula:
C8H6Br2O3
Molecular Weight:
309.9394
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Product Description
Catalog Number:
AG002Z8W
Chemical Name:
Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy-
CAS Number:
2973-75-3
Molecular Formula:
C8H6Br2O3
Molecular Weight:
309.9394
MDL Number:
MFCD00016978
IUPAC Name:
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H6Br2O3/c1-13-5-2-4(3-11)6(9)7(10)8(5)12/h2-3,12H,1H3
InChI Key:
WKLKGSHBXNPUDU-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1O)Br)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.866g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.941g/mol
Monoisotopic Mass:
307.868g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
2,3-Dibromo-6-meth-oxy-4-[(phenethyl-amino)-methyl-idene]cyclo-hexa-2,5-dien-1-one methanol monosolvate. Acta crystallographica. Section E, Structure reports online 20120101
In-vitro cytotoxic activities of the major bromophenols of the red alga Polysiphonia lanosa and some novel synthetic isomers. Journal of natural products 20040901
Properties