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Home > Boronic Acids > 849062-38-0
849062-38-0 | (4-((4-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
CAS No: 849062-38-0 Catalog No: AG003K2V MDL No:MFCD06411357
Product Description
Catalog Number:
AG003K2V
Chemical Name:
(4-((4-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
CAS Number:
849062-38-0
Molecular Formula:
C15H16BClO3
Molecular Weight:
290.5497
MDL Number:
MFCD06411357
IUPAC Name:
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C15H16BClO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12/h3-8,18-19H,9H2,1-2H3
InChI Key:
MBKKDZFJTODELM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1c(C)cc(cc1C)B(O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.55g/mol
Monoisotopic Mass:
290.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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