CAS 589-87-7 | 4-Bromoiodobenzene | CAS Number 589-87-7

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589-87-7 | 4-Bromoiodobenzene

CAS No: 589-87-7 Catalog No: AG0032PW MDL No:MFCD00001051

Product Description

Catalog Number:

AG0032PW

Chemical Name:

4-Bromoiodobenzene

CAS Number:

589-87-7

Molecular Formula:

C6H4BrI

Molecular Weight:

282.9044

MDL Number:

MFCD00001051

IUPAC Name:

1-bromo-4-iodobenzene

InChI:

InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H

InChI Key:

UCCUXODGPMAHRL-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)I

EC Number:

209-662-7

NSC Number:

8033

Properties

Complexity:

66.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.854g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.906g/mol

Monoisotopic Mass:

281.854g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Copper-catalyzed one-pot multicomponent coupling reaction of phenols, amides, and 4-bromphenyl iodide.	Organic letters 20081016
Orientational isomerism and binding ability of nonsymmetrical guests encapsulated in a self-assembling heterodimeric capsule.	Chemistry (Weinheim an der Bergstrasse, Germany) 20050805
Synthesis of N tau-arylhistidine derivatives via direct N-arylation.	Bioorganic & medicinal chemistry letters 20040405