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Home > Boronic Acids > 849062-24-4
849062-24-4 | (3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronic acid
CAS No: 849062-24-4 Catalog No: AG003J7L MDL No:MFCD06411316
Product Description
Catalog Number:
AG003J7L
Chemical Name:
(3-Chloro-4-((3,5-dimethoxybenzyl)oxy)phenyl)boronic acid
CAS Number:
849062-24-4
Molecular Formula:
C15H16BClO5
Molecular Weight:
322.5485
MDL Number:
MFCD06411316
IUPAC Name:
[3-chloro-4-[(3,5-dimethoxyphenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C15H16BClO5/c1-20-12-5-10(6-13(8-12)21-2)9-22-15-4-3-11(16(18)19)7-14(15)17/h3-8,18-19H,9H2,1-2H3
InChI Key:
ALGYTGHGIFYXPT-UHFFFAOYSA-N
SMILES:
COc1cc(COc2ccc(cc2Cl)B(O)O)cc(c1)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.548g/mol
Monoisotopic Mass:
322.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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