CAS 123324-71-0 | Boronic acid, B-[4-(1,1-dimethylethyl)phenyl]- | CAS Number 123324-71-0

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123324-71-0 | Boronic acid, B-[4-(1,1-dimethylethyl)phenyl]-

CAS No: 123324-71-0 Catalog No: AG000KCC MDL No:MFCD01009697

Product Description

Catalog Number:

AG000KCC

Chemical Name:

Boronic acid, B-[4-(1,1-dimethylethyl)phenyl]-

CAS Number:

123324-71-0

Molecular Formula:

C10H15BO2

Molecular Weight:

178.0359

MDL Number:

MFCD01009697

IUPAC Name:

(4-tert-butylphenyl)boronic acid

InChI:

InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3

InChI Key:

MNJYZNVROSZZQC-UHFFFAOYSA-N

SMILES:

OB(c1ccc(cc1)C(C)(C)C)O

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.038g/mol

Monoisotopic Mass:

178.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Air-stable Pd(R-allyl)LCl (L= Q-Phos, P(t-Bu)3, etc.) systems for C-C/N couplings: insight into the structure-activity relationship and catalyst activation pathway.	The Journal of organic chemistry 20111007
5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.	Organic & biomolecular chemistry 20040321