CAS 2973-75-3 | Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy- | CAS Number 2973-75-3

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2973-75-3 | Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy-

CAS No: 2973-75-3 Catalog No: AG002Z8W MDL No:MFCD00016978

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.866g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.941g/mol

Monoisotopic Mass:

307.868g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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