CAS 2641-89-6 | 1,4-Benzenediol, 2,3,5,6-tetrabromo- | CAS Number 2641-89-6

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2641-89-6 | 1,4-Benzenediol, 2,3,5,6-tetrabromo-

CAS No: 2641-89-6 Catalog No: AG002T3O MDL No:MFCD00013970

Product Description

Catalog Number:

AG002T3O

Chemical Name:

1,4-Benzenediol, 2,3,5,6-tetrabromo-

CAS Number:

2641-89-6

Molecular Formula:

C6H2Br4O2

Molecular Weight:

425.6949

MDL Number:

MFCD00013970

IUPAC Name:

2,3,5,6-tetrabromobenzene-1,4-diol

InChI:

InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

InChI Key:

DTFQULSULHRJOA-UHFFFAOYSA-N

SMILES:

Oc1c(Br)c(Br)c(c(c1Br)Br)O

EC Number:

220-142-9

NSC Number:

508878

Properties

Complexity:

134

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

425.675g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

425.696g/mol

Monoisotopic Mass:

421.679g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Isolation of brominated quinones showing chemiluminescence activity from luminous acorn worm, Ptychodera flava.	Bioorganic & medicinal chemistry 20050415
Tetrabromohydroquinone and riboflavin are possibly responsible for green luminescence in the luminous acorn worm, Ptychodera flava.	Luminescence : the journal of biological and chemical luminescence 20050101