5-Ethoxy-2-fluorophenylboronic acid

CAT: 0127-PC412109-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC412109-01Size:250 mg

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CAS Number

900174-60-9

MDL Number

MFCD05664321

Purity

98%

Smiles

CCOc1ccc(F)c(c1)B(O)O

Chemical Information

5-Ethoxy-2-fluorophenylboronic Acid (contains varying amounts of Anhydride)

CAS Number	900174-60-9
PubChem CID	16217468
IUPAC Name	(5-ethoxy-2-fluorophenyl)boronic acid
Molecular Formula	C8H10BFO3
Molecular Weight	183.97
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	156

SMILES

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

InChI

InChI=1S/C8H10BFO3/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5,11-12H,2H2,1H3

InChIKey

ISJGNUFTQTZLEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 900174-60-9

CID: 16217468

Formula: C8H10BFO3

MW: 183.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.97
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.0707025
Monoisotopic Mass	184.0707025
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
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
PC412088-01	2-Ethoxy-5-fluorophenylboronic acid
PC1014908	5-Chloro-4-ethoxy-2-fluorophenylboronic acid
PC1012366	2-Ethoxy-5-fluorophenylboronic acid pinacol ester
PC1010286	5-Bromo-6-ethoxy-2-fluorophenylboronic acid
PC412243-01	3-Bromo-2-ethoxy-5-fluorophenylboronic acid
PC412026-01	2-Ethoxy-4-fluorophenylboronic acid
PC412087-01	3-Ethoxy-2-fluorophenylboronic acid
PC901642-01	4-Ethoxy-2-fluorophenylboronic acid
PC900865	2-Ethoxy-6-fluorophenylboronic acid
PC412032-01	2-Ethoxy-3-fluorophenylboronic acid

Catalog	Name
417496-01	2-Ethoxy-5-fluorophenylboronic acid
900174-60-9-01	5-Ethoxy-2-fluorophenylboronic acid
425444-01	3-Ethoxy-5-fluorophenylboronic acid
sc-254431	3-Bromo-2-ethoxy-5-fluorophenylboronic acid
sc-252001	3-Ethoxy-2-fluorophenylboronic acid
abx185924-01	2-Ethoxy-4-Fluorophenylboronic Acid
417477-01	2-Ethoxy-3-fluorophenylboronic acid
sc-288104A	2-Ethoxy-6-fluorophenylboronic acid
432149-01	4-Ethoxy-2-fluorophenylboronic acid
431714-01	4-Chloro-5-ethoxy-2-fluorophenylboronic acid, pinacol ester