CAS 109517-99-9 | 1,3-Benzenedicarboxaldehyde, 5-bromo-2-hydroxy- | CAS Number 109517-99-9

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109517-99-9 | 1,3-Benzenedicarboxaldehyde, 5-bromo-2-hydroxy-

CAS No: 109517-99-9 Catalog No: AG007AHZ MDL No:

Product Description

Catalog Number:

AG007AHZ

Chemical Name:

1,3-Benzenedicarboxaldehyde, 5-bromo-2-hydroxy-

CAS Number:

109517-99-9

Molecular Formula:

C8H5BrO3

Molecular Weight:

229.0275

IUPAC Name:

5-bromo-2-hydroxybenzene-1,3-dicarbaldehyde

InChI:

InChI=1S/C8H5BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H

InChI Key:

OEHFPZMUTXRLFE-UHFFFAOYSA-N

SMILES:

O=Cc1cc(Br)cc(c1O)C=O

Properties

Complexity:

165

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.942g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.029g/mol

Monoisotopic Mass:

227.942g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
μ-11,23-Dibromo-3,7,15,19-tetra-aza-tri-cyclo-[19.3.1.1]hexa-cosa-1(25),2,7,9,11,13(26),14,19,21,23-deca-ene-25,26-diolato-κN,N,O,O':κO,O',N,N]bis[perchloratocopper(II).	Acta crystallographica. Section E, Structure reports online 20080201