1-bromo-4-iodobenzene

CAT: 1731-FH 1G 0A12-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-FH 1G 0A12-01Size:1 mg

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CAS Number

589-87-7

MDL Number

MFCD00001051

Purity

0.95

Smiles

Brc1ccc (I) cc1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

1-Bromo-4-iodobenzene

CAS Number	589-87-7
PubChem CID	11522
IUPAC Name	1-bromo-4-iodobenzene
Molecular Formula	C6H4BrI
Molecular Weight	282.90
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

C1=CC(=CC=C1Br)I

InChI

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

InChIKey

UCCUXODGPMAHRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 589-87-7

CID: 11522

Formula: C6H4BrI

MW: 282.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.90
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	281.85411
Monoisotopic Mass	281.85411
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FH ME 0017-01	1-benzhydryl-2-iodobenzene
FH HG 0023-01	1-bromo-4-[bromo (diphenyl) methyl]benzene
FH 1G 0A05-01	1-bromo-4- (4-methylphenyl) tellanylbenzene
FH 1G 0A13-01	1-bromo-4- (4-bromophenoxy) benzene
FH 10 S163-01	Dimethyl 2-iodobenzene-1,3-dicarboxylate
FH 1G 0A03-01	1-bromo-4-[4- (4-methylphenyl) sulfanylphenyl]sulfanylbenzene
FH UN 0004-01	1-bromo-4-[4- (4-methylphenyl) sulfanylphenoxy]benzene
FH UN 0003-01	1-bromo-4-[ (4-bromophenyl) disulfanyl]benzene
FH HL 0154-01	1- (2-bromo-4-methylphenyl) sulfonylaziridine
FH MW 0025-01	1-bromo-4- (3-phenylpropyl) benzene