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Home Boronic acids Benzylboronic acid

Benzylboronic acid

CAS No.:
4463-42-7
Catalog Number:
AG00377L
Molecular Formula:
C7H9BO2
Molecular Weight:
135.9562
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Product Description
Catalog Number:
AG00377L
Chemical Name:
Benzylboronic acid
CAS Number:
4463-42-7
Molecular Formula:
C7H9BO2
Molecular Weight:
135.9562
MDL Number:
MFCD01114673
IUPAC Name:
benzylboronic acid
InChI:
InChI=1S/C7H9BO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChI Key:
HBWDWGMBZIFBQE-UHFFFAOYSA-N
SMILES:
OB(Cc1ccccc1)O
Properties
Complexity:
89.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.07g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
135.957g/mol
Monoisotopic Mass:
136.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Chemoselective Suzuki coupling of diborylmethane for facile synthesis of benzylboronates. Organic letters 20110701
Synthesis of [11C]/(13C)amines via carbonylation followed by reductive amination. Organic & biomolecular chemistry 20040607
Properties