Home Boronic Acids 1451391-56-2
1451391-56-2,MFCD17011987
Catalog No.:AA00AVAA
1451391-56-2 | 5-(Benzyloxy)-2-methylphenylboronic acid
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1g
98%
in stock  
$160.00
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5g
98%
in stock  
$534.00
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Technical Information
Catalog Number:
AA00AVAA
Chemical Name:
5-(Benzyloxy)-2-methylphenylboronic acid
CAS Number:
1451391-56-2
Molecular Formula:
C14H15BO3
Molecular Weight:
242.0781
MDL Number:
MFCD17011987
IUPAC Name:
(2-methyl-5-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C14H15BO3/c1-11-7-8-13(9-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChI Key:
PHZUZAMBWZEFSP-UHFFFAOYSA-N
SMILES:
OB(c1cc(OCc2ccccc2)ccc1C)O
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.081g/mol
Monoisotopic Mass:
242.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
5-(Benzyloxy)-2-methylphenylboronic acid 
1451391-56-2 
C14H15BO3 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
(5-(Benzyloxy)-2-methylphenyl)boronic acid 
PHZUZAMBWZEFSP-UHFFFAOYSA-N 
MFCD17011987 
AKOS022181621 
ZINC169955499 
BC001559 
Z1536 
B-9207 
Literature
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