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Home > Boronic Acids > 849052-15-9
849052-15-9 | (4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
CAS No: 849052-15-9 Catalog No: AG003JZE MDL No:MFCD06411361
Product Description
Catalog Number:
AG003JZE
Chemical Name:
(4-((2-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
CAS Number:
849052-15-9
Molecular Formula:
C15H16BClO3
Molecular Weight:
290.5497
MDL Number:
MFCD06411361
IUPAC Name:
[4-[(2-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C15H16BClO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8,18-19H,9H2,1-2H3
InChI Key:
UDKYOMYSPIEDTK-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1OCc1ccccc1Cl)C)B(O)O
Properties
Complexity:
291
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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