CAS 5392-10-9 | 2-Bromo-4,5-dimethoxybenzaldehyde | CAS Number 5392-10-9

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5392-10-9 | 2-Bromo-4,5-dimethoxybenzaldehyde

CAS No: 5392-10-9 Catalog No: AG003358 MDL No:MFCD00003301

Product Description

Catalog Number:

AG003358

Chemical Name:

2-Bromo-4,5-dimethoxybenzaldehyde

CAS Number:

5392-10-9

Molecular Formula:

C9H9BrO3

Molecular Weight:

245.0700

MDL Number:

MFCD00003301

IUPAC Name:

2-bromo-4,5-dimethoxybenzaldehyde

InChI:

InChI=1S/C9H9BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3

InChI Key:

UQQROBHFUDBOOK-UHFFFAOYSA-N

SMILES:

COc1cc(C=O)c(cc1OC)Br

EC Number:

226-390-4

NSC Number:

3254

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.072g/mol

Monoisotopic Mass:

243.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Modulation of DNA repair by pharmacological inhibitors of the PIKK protein kinase family.	Bioorganic & medicinal chemistry letters 20120901
Multiple tyrosine metabolites are GPR35 agonists.	Scientific reports 20120101
Methyl (E)-3-(2-bromo-4,5-dimeth-oxy-benzyl-idene)dithio-carbazate.	Acta crystallographica. Section E, Structure reports online 20111101