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Home > Boronic Acids > 173394-24-6

173394-24-6

173394-24-6 | Boronic acid, [3-(phenylmethyl)phenyl]- (9CI)

CAS No: 173394-24-6 Catalog No: AG001YUD MDL No:MFCD12828087

Product Description

Catalog Number:
AG001YUD
Chemical Name:
Boronic acid, [3-(phenylmethyl)phenyl]- (9CI)
CAS Number:
173394-24-6
Molecular Formula:
C13H13BO2
Molecular Weight:
212.0521
MDL Number:
MFCD12828087
IUPAC Name:
(3-benzylphenyl)boronic acid
InChI:
InChI=1S/C13H13BO2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,15-16H,9H2
InChI Key:
ONYYAVJRRZKXDI-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)Cc1ccccc1)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

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