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Home > Boronic Acids > 849052-24-0
849052-24-0 | (3-Bromo-2-((3-methoxybenzyl)oxy)phenyl)boronic acid
CAS No: 849052-24-0 Catalog No: AG003IZR MDL No:MFCD06411374
Product Description
Catalog Number:
AG003IZR
Chemical Name:
(3-Bromo-2-((3-methoxybenzyl)oxy)phenyl)boronic acid
CAS Number:
849052-24-0
Molecular Formula:
C14H14BBrO4
Molecular Weight:
336.9736
MDL Number:
MFCD06411374
IUPAC Name:
[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H14BBrO4/c1-19-11-5-2-4-10(8-11)9-20-14-12(15(17)18)6-3-7-13(14)16/h2-8,17-18H,9H2,1H3
InChI Key:
JNPYQBOHAURAQI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)COc1c(Br)cccc1B(O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.017g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.976g/mol
Monoisotopic Mass:
336.017g/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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