CAS 18226-42-1 | Benzene, 1,3,5-tris(bromomethyl)- | CAS Number 18226-42-1

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18226-42-1 | Benzene, 1,3,5-tris(bromomethyl)-

CAS No: 18226-42-1 Catalog No: AG0023JH MDL No:MFCD00182500

Product Description

Catalog Number:

AG0023JH

Chemical Name:

Benzene, 1,3,5-tris(bromomethyl)-

CAS Number:

18226-42-1

Molecular Formula:

C9H9Br3

Molecular Weight:

356.8798

MDL Number:

MFCD00182500

IUPAC Name:

1,3,5-tris(bromomethyl)benzene

InChI:

InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2

InChI Key:

GHITVUOBZBZMND-UHFFFAOYSA-N

SMILES:

BrCc1cc(CBr)cc(c1)CBr

Properties

Complexity:

91.2

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

355.823g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

356.883g/mol

Monoisotopic Mass:

353.825g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
1,1'-[(5-Hy-droxy-methyl-1,3-phenyl-ene)bis-(methyl-ene)]dipyridin-4(1H)-one monohydrate.	Acta crystallographica. Section E, Structure reports online 20110701
1,3,5-Tris(bromomethyl)benzene.	Acta crystallographica. Section C, Crystal structure communications 20110601
A highly efficient, preorganized macrobicyclic receptor for halides based on CH... and NH...anion interactions.	Journal of the American Chemical Society 20041006
Synthesis of a macrobicycle incorporating the tris(pyrazolyl)methane ligand.	Organic letters 20040304