6-Bromobenzofuran

CAT: 0127-OR54601-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR54601-01Size:1 g

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CAS Number

128851-73-0

Synonyms

6-Bromo-1-benzofuran

MDL Number

MFCD08669477

Purity

98%

Smiles

Brc1ccc2ccoc2c1

Chemical Information

6-Bromo-1-benzofuran

CAS Number	128851-73-0
PubChem CID	15158722
IUPAC Name	6-bromo-1-benzofuran
Molecular Formula	C8H5BrO
Molecular Weight	197.03
XLogP	3
Topological Polar Surface Area	13.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	126

SMILES

C1=CC(=CC2=C1C=CO2)Br

InChI

InChI=1S/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H

InChIKey

BBXQYOQXGGJUFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128851-73-0

CID: 15158722

Formula: C8H5BrO

MW: 197.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.03
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	195.95238
Monoisotopic Mass	195.95238
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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
OR1076558-01	2-Bromobenzofuran-6-ol
OR54602-01	4-Bromobenzofuran
OR1092068-01	5-bromobenzofuran-2-carbonitrile
OR1102550-01	5-Bromobenzofuran-2-carboxamide
OR1092191-01	3-bromobenzofuran-2-carbaldehyde
OR1032611-01	7-Bromobenzofuran-4-ol
OR1057355-01	7-Bromobenzofuran-5-ol
OR1092192	3-bromobenzofuran-2-carboxylic acid
OR62192	(7-Bromobenzofuran-5-yl) methanol
OR1033291-01	Ethyl 4-bromobenzofuran-3-carboxylate

Catalog	Name
263175-01	6-Bromobenzofuran
438194-01	6-Bromobenzofuran-2-carboxylic acid
FB42238	2-Bromobenzofuran
435827-01	5-Bromobenzofuran
004619	4-Bromobenzofuran
JH916789	7-Bromobenzofuran-5-ol
sc-321454	2-Acetyl-7-bromobenzofuran
004633	5-Bromobenzofuran-2-carboxamide
TRC-B815080-1G	3-Bromobenzofuran-2-carbaldehyde
JH916785	7-Bromobenzofuran-4-ol