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Home > Boronic Acids > 849062-23-3
849062-23-3 | (3-Bromo-2-((3-methoxybenzyl)oxy)-5-methylphenyl)boronic acid
CAS No: 849062-23-3 Catalog No: AG003BR4 MDL No:MFCD06411315
Product Description
Catalog Number:
AG003BR4
Chemical Name:
(3-Bromo-2-((3-methoxybenzyl)oxy)-5-methylphenyl)boronic acid
CAS Number:
849062-23-3
Molecular Formula:
C15H16BBrO4
Molecular Weight:
351.0001
MDL Number:
MFCD06411315
IUPAC Name:
[3-bromo-2-[(3-methoxyphenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C15H16BBrO4/c1-10-6-13(16(18)19)15(14(17)7-10)21-9-11-4-3-5-12(8-11)20-2/h3-8,18-19H,9H2,1-2H3
InChI Key:
KTEDZUFTBUUJLG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)COc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.003g/mol
Monoisotopic Mass:
350.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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