Home Boronic acids 2-benzylphenylboronic acid

2-benzylphenylboronic acid

CAS No.:
40276-63-9
Catalog Number:
AG00C6K9
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
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Product Description
Catalog Number:
AG00C6K9
Chemical Name:
2-benzylphenylboronic acid
CAS Number:
40276-63-9
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
MDL Number:
MFCD16725656
IUPAC Name:
(2-benzylphenyl)boronic acid
InChI:
InChI=1S/C13H13BO2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,15-16H,10H2
InChI Key:
QGEKLPGERLPRSX-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1Cc1ccccc1)O
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.055g/mol
Monoisotopic Mass:
212.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties