CAS 128376-64-7 | Benzaldehyde, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- | CAS Number 128376-64-7

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128376-64-7 | Benzaldehyde, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 128376-64-7 Catalog No: AG000Y1J MDL No:MFCD04972375

Product Description

Catalog Number:

AG000Y1J

Chemical Name:

Benzaldehyde, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS Number:

128376-64-7

Molecular Formula:

C13H17BO3

Molecular Weight:

232.0833

MDL Number:

MFCD04972375

IUPAC Name:

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

InChI:

InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-9H,1-4H3

InChI Key:

DMBMXJJGPXADPO-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.086g/mol

Monoisotopic Mass:

232.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
2,2'-{[(2,2'-Dieth-oxy-1,1'-binaphthalene-6,6'-di-yl)bis-(4,1-phenyl-ene)]bis-(methan-ylyl-idene)}dimalononitrile.	Acta crystallographica. Section E, Structure reports online 20121001
1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.	Acta crystallographica. Section C, Crystal structure communications 20120601