CAS 128424-36-2 | Benzene, 1,4-dibromo-2,5-bis(hexyloxy)- | CAS Number 128424-36-2

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128424-36-2 | Benzene, 1,4-dibromo-2,5-bis(hexyloxy)-

CAS No: 128424-36-2 Catalog No: AG000Y2W MDL No:

Product Description

Catalog Number:

AG000Y2W

Chemical Name:

Benzene, 1,4-dibromo-2,5-bis(hexyloxy)-

CAS Number:

128424-36-2

Molecular Formula:

C18H28Br2O2

Molecular Weight:

436.2217

IUPAC Name:

1,4-dibromo-2,5-dihexoxybenzene

InChI:

InChI=1S/C18H28Br2O2/c1-3-5-7-9-11-21-17-13-16(20)18(14-15(17)19)22-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3

InChI Key:

SOGHPVFJOUWTNY-UHFFFAOYSA-N

SMILES:

CCCCCCOc1cc(Br)c(cc1Br)OCCCCCC

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

436.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

436.228g/mol

Monoisotopic Mass:

434.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.9

Literature

Title	Journal
Activating efficient phosphorescence from purely organic materials by crystal design.	Nature chemistry 20110301
4-(2,5-Dihexyl-oxyphen-yl)benzoic acid.	Acta crystallographica. Section E, Structure reports online 20081101
1,4-Dibromo-2,5-bis-(hex-yloxy)benzene.	Acta crystallographica. Section E, Structure reports online 20081001