2- (2-Ethoxyethoxy) phenylboronic acid

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CAS Number

279262-56-5

MDL Number

MFCD12174698

Smiles

C1 (B (O) O) c (OCCOCC) cccc1

Chemical Information

(2-(2-Ethoxyethoxy)phenyl)boronic acid

CAS Number	279262-56-5
PubChem CID	43457329
IUPAC Name	[2-(2-ethoxyethoxy)phenyl]boronic acid
Molecular Formula	C10H15BO4
Molecular Weight	210.04
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	166

SMILES

B(C1=CC=CC=C1OCCOCC)(O)O

InChI

InChI=1S/C10H15BO4/c1-2-14-7-8-15-10-6-4-3-5-9(10)11(12)13/h3-6,12-13H,2,7-8H2,1H3

InChIKey

VXRUZTFMTDDRAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 279262-56-5

CID: 43457329

Formula: C10H15BO4

MW: 210.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.04
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	210.1063391
Monoisotopic Mass	210.1063391
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	166
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
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OR360293-01	2- (Dimethylamino) phenylboronic acid
OR360903-01	2- (2'-Chlorobenzyloxy) phenylboronic acid
OR908359-01	2- (2-Methoxyethoxy) phenylboronic acid
OR361282	2- (Isobutoxycarbonyl) phenylboronic acid
OR361431-01	2- (Methylcarbamoyl) phenylboronic acid

Catalog	Name
413159-01	2- (2-Ethoxyethoxy) phenylboronic acid
428612-01	4- (2-Ethoxyethoxy) phenylboronic acid
ASB51036-01	2- (Cyclopropylmethoxy) phenylboronic acid
414398-01	2- (Trifluoromethoxy) phenylboronic Acid
414185-01	2- (Diisopropylcarbanoyl) phenylboronic acid
414102-01	2- (Carboxymethyl) phenylboronic Acid
sc-259301A	2- (Methylsulfonyl) phenylboronic acid
sc-298165A	2- (Morpholino) phenylboronic acid
sc-259296	2- (Methoxymethyl) phenylboronic acid
LCC15902-01	2- (Cyclopentyloxy) phenylboronic acid