3-Fluoro-2-methylphenylboronic acid

CAT: 0024-sc-260920Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-260920Size:1 g

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CAS Number

163517-61-1

Chemical Information

3-Fluoro-2-methylphenylboronic Acid

CAS Number	163517-61-1
PubChem CID	2783191
IUPAC Name	(3-fluoro-2-methylphenyl)boronic acid
Molecular Formula	C7H8BFO2
Molecular Weight	153.95
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

B(C1=C(C(=CC=C1)F)C)(O)O

InChI

InChI=1S/C7H8BFO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3

InChIKey

NYBIUWJUWTUGFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163517-61-1

CID: 2783191

Formula: C7H8BFO2

MW: 153.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.95
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	154.0601378
Monoisotopic Mass	154.0601378
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
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
sc-259822	2-Fluoro-3-methylphenylboronic acid
sc-259822A	2-Fluoro-3-methylphenylboronic acid
sc-238545	3-Fluoro-4-methylphenylboronic acid
sc-238843	4-Fluoro-3-methylphenylboronic acid
sc-226967	5-Fluoro-2-methylphenylboronic acid
sc-238841	4-Fluoro-2-methylphenylboronic acid
sc-206448	2-Fluoro-4-methylphenylboronic Acid
sc-238046	2-Fluoro-5-methylphenylboronic acid
sc-287860	2-Bromo-6-fluoro-3-methylphenylboronic acid
sc-290809A	5-Bromo-2-fluoro-3-methylphenylboronic acid

Catalog	Name
425554-01	3-Fluoro-2-methylphenylboronic acid
417705-01	2-Fluoro-3-methylphenylboronic acid
425658-01	3-Fluoro-4-methylphenylboronic acid
abx185960-01	5-Fluoro-3-methylphenylboronic acid
TRC-F596520-100MG	4-Fluoro-2-methylphenylboronic acid
432390-01	4-Fluoro-3-methylphenylboronic acid
425733-01	3-Fluoro-5-methylphenylboronic acid
276334-01	2-Fluoro-4-methylphenylboronic acid
abx185059-01	2-Fluoro-5-Methylphenylboronic Acid
436504-01	5-Fluoro-2-methylphenylboronic acid