Phenylboronic Acid Mida Ester

CAT: 0127-OR1014651-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1014651-01Size:250 mg

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CAS Number

109737-57-7

Purity

98%

Smiles

CN1CC(=O)OB(OC(=O)C1)c2ccccc2

Chemical Information

6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione

CAS Number	109737-57-7
PubChem CID	13600893
IUPAC Name	6-methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
Molecular Formula	C11H12BNO4
Molecular Weight	233.03
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	284

SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC=C2

InChI

InChI=1S/C11H12BNO4/c1-13-7-10(14)16-12(17-11(15)8-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

AISHCGVNWMRLOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109737-57-7

CID: 13600893

Formula: C11H12BNO4

MW: 233.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.03
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	233.0859380
Monoisotopic Mass	233.0859380
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	284
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
OR1012748-01	Cyclopropylboronic Acid Mida Ester
OR938746-01	Methylboronic acid mida ester
PC1010256	3-Fluorophenylboronic acid mida ester
OR1076841-01	3-Bromophenylboronic Acid Mida Ester
OR1010319-01	2-Benzofuranylboronic Acid Mida Ester
OR1010966-01	3-Cyanophenylboronic Acid Mida Ester
OR1010416-01	2-Cyanophenylboronic Acid Mida Ester
OR1006620-01	5-Bromo-2-thiophenylboronic acid mida ester
OR1054207	N-Boc-pyrrole-2-boronic acid MIDA ester
OR303555-01	4- (Methylthio) phenylboronic acid pinacol ester

Catalog	Name
sc-480694	Phenylboronic acid MIDA ester
EUB63753-01	Ethynylboronic acid mida ester
FV159926-01	Vinylboronic acid MIDA ester
SEA31184-01	Cyclopentylboronic acid MIDA ester
TRC-E932168-250MG	Ethynylboronic Acid MIDA Ester (>90%)
sc-480760	2-Chlorophenylboronic acid MIDA ester
437067-01	5-Thiazole Boronic Acid MIDA Ester
sc-236375	Phenylboronic acid neopentylglycol ester
sc-301541	Phenylboronic acid N-butyldiethanolamine ester
458401-01	N-Boc-pyrrole-2-boronic acid MIDA ester