Home Boronic acids 3-(Phenoxymethyl)benzeneboronic acid, pinacol ester

3-(Phenoxymethyl)benzeneboronic acid, pinacol ester

CAS No.:
912569-68-7
Catalog Number:
AG00GVII
Molecular Formula:
C19H23BO3
Molecular Weight:
310.1951
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Product Description
Catalog Number:
AG00GVII
Chemical Name:
3-(Phenoxymethyl)benzeneboronic acid, pinacol ester
CAS Number:
912569-68-7
Molecular Formula:
C19H23BO3
Molecular Weight:
310.1951
MDL Number:
MFCD09065022
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-8-9-15(13-16)14-21-17-11-6-5-7-12-17/h5-13H,14H2,1-4H3
InChI Key:
AFDZGEOQKHIWKF-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)COc1ccccc1
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.174g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.2g/mol
Monoisotopic Mass:
310.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties