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Home > Boronic Acids > 849062-21-1
849062-21-1 | (4-((3-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
CAS No: 849062-21-1 Catalog No: AG003K0Y MDL No:MFCD06411362
Product Description
Catalog Number:
AG003K0Y
Chemical Name:
(4-((3-Chlorobenzyl)oxy)-3,5-dimethylphenyl)boronic acid
CAS Number:
849062-21-1
Molecular Formula:
C15H16BClO3
Molecular Weight:
290.5497
MDL Number:
MFCD06411362
IUPAC Name:
[4-[(3-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C15H16BClO3/c1-10-6-13(16(18)19)7-11(2)15(10)20-9-12-4-3-5-14(17)8-12/h3-8,18-19H,9H2,1-2H3
InChI Key:
FSGQMHRYHYNMCX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1c(C)cc(cc1C)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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