3-Iodophenylboronic acid

CAT: 0127-OR303431-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR303431-01Size:1 g

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CAS Number

221037-98-5

MDL Number

MFCD01319015

Purity

97%

Smiles

OB(O)c1cccc(I)c1

Chemical Information

3-Iodophenylboronic acid

CAS Number	221037-98-5
PubChem CID	2734362
IUPAC Name	(3-iodophenyl)boronic acid
Molecular Formula	C6H6BIO2
Molecular Weight	247.83
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

B(C1=CC(=CC=C1)I)(O)O

InChI

InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H

InChIKey

REEUXWXIMNEIIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 221037-98-5

CID: 2734362

Formula: C6H6BIO2

MW: 247.83

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.83
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	247.95056
Monoisotopic Mass	247.95056
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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
OR908388-01	2-Iodophenylboronic acid
OR1081733	3-Bromo-5-iodophenylboronic acid
PC1009839	3,5-Difluoro-4-iodophenylboronic acid
PC1023430	2,3-Difluoro-4-iodophenylboronic acid
PC412097	2-Fluoro-6-iodophenylboronic acid
OR303432-01	4-Iodophenylboronic acid pinacol ester
PC1022586	2-Fluoro-6-iodophenylboronic acid pinacol ester
OR1087347	2-Bromo-5-iodophenylboronic acid pinacol ester
BUP18225	3,3-Dimethylglutaric acid
OR83892-01	3,3-Dimethoxypropanoic acid

Catalog	Name
sc-238572	3-Iodophenylboronic acid
FI32633	2-Iodophenylboronic acid
sc-298433A	2-Fluoro-3-iodophenylboronic acid
sc-252164	4-Iodophenylboronic acid
426142-01	3-Iodophenylboronic acid, pinacol ester
424473-01	3-Bromo-5-iodophenylboronic acid
sc-231773	3-Iodophenylboronic acid pinacol ester
437984-01	6-Bromo-2-fluoro-3-iodophenylboronic Acid
sc-298449	2-Fluoro-5-iodophenylboronic acid
432860-01	4-Iodophenylboronic acid, pinacol ester