CAS 172975-69-8 | 3,5-Dimethylphenylboronic acid | CAS Number 172975-69-8

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172975-69-8 | 3,5-Dimethylphenylboronic acid

CAS No: 172975-69-8 Catalog No: AG003IP6 MDL No:MFCD00185689

Product Description

Catalog Number:

AG003IP6

Chemical Name:

3,5-Dimethylphenylboronic acid

CAS Number:

172975-69-8

Molecular Formula:

C8H11BO2

Molecular Weight:

149.9827

MDL Number:

MFCD00185689

IUPAC Name:

(3,5-dimethylphenyl)boronic acid

InChI:

InChI=1S/C8H11BO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5,10-11H,1-2H3

InChI Key:

DJGHSJBYKIQHIK-UHFFFAOYSA-N

SMILES:

OB(c1cc(C)cc(c1)C)O

EC Number:

605-655-1

Properties

Complexity:

117

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.984g/mol

Monoisotopic Mass:

150.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
1,3-Bis(3,5-dimethyl-phen-yl)-5-methyl-benzene.	Acta crystallographica. Section E, Structure reports online 20100701
Synthesis of a sterically crowded atropisomeric 1,8-diacridylnaphthalene for dual-mode enantioselective fluorosensing.	The Journal of organic chemistry 20060331