2-Phenylethylboronic acid, pinacol ester

CAT: 0127-OR361525-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR361525-01Size:250 mg

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CAS Number

165904-22-3

MDL Number

MFCD03788721

Purity

98%

Smiles

CC1(C)OB(CCc2ccccc2)OC1(C)C

Chemical Information

4,4,5,5-Tetramethyl-2-(2-phenylethyl)-1,3,2-dioxaborolane

CAS Number	165904-22-3
PubChem CID	11333720
IUPAC Name	4,4,5,5-tetramethyl-2-(2-phenylethyl)-1,3,2-dioxaborolane
Molecular Formula	C14H21BO2
Molecular Weight	232.13
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	241

SMILES

B1(OC(C(O1)(C)C)(C)C)CCC2=CC=CC=C2

InChI

InChI=1S/C14H21BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3

InChIKey

LVLQNRWCBBIVHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165904-22-3

CID: 11333720

Formula: C14H21BO2

MW: 232.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.13
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	232.1634601
Monoisotopic Mass	232.1634601
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	241
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
OR4006-01	2-Phenylethylboronic acid
PC412549-01	4- (Trifluoromethoxy) phenylmethylboronic acid, pinacol ester
OR908570-01	2-Cyclopropyloxybenzeneboronic acid, pinacol ester
OR1034999-01	2-Acetylphenylboronic acid pinacol ester
OR11015-01	2-Acetoxybenzeneboronic acid, pinacol ester
OR360872-01	2-Carboxyethylboronic acid, pinacol ester
OR1099269	2-Ethylphenylboronic acid pinacol ester
OR360172-01	2-Benzyloxyphenylboronic acid, pinacol ester
OR360885-01	2-Carboxymethylphenylboronic acid, pinacol ester
PC412560-01	2-Trifluoromethylphenylboronic acid, pinacol ester

Catalog	Name
ANA14175	2-Acetylphenylboronic acid pinacol ester
418059-01	2-Fluorobenzylboronic acid pinacol ester
417443-01	2-Difluoromethoxyphenylboronic Acid, Pinacol Ester
417329-01	2-Cyanophenylboronic acid, pinacol ester
417319-01	2-Cyanoethylboronic acid, pinacol ester
417209-01	2-Chlorophenylboronic acid, pinacol ester
285532-01	2-Naphthaleneboronic acid pinacol ester
TRC-C181388-250MG	2-Carboxyphenylboronic Acid Pinacol Ester
sc-481226	2-Tolylboronic acid pinacol ester
sc-307278	2-Carboxymethylphenylboronic acid, pinacol ester