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Home > Boronic Acids > 849062-40-4
849062-40-4 | (3-Bromo-2-((3-fluorobenzyl)oxy)-5-methylphenyl)boronic acid
CAS No: 849062-40-4 Catalog No: AG003IZQ MDL No:MFCD06411359
Product Description
Catalog Number:
AG003IZQ
Chemical Name:
(3-Bromo-2-((3-fluorobenzyl)oxy)-5-methylphenyl)boronic acid
CAS Number:
849062-40-4
Molecular Formula:
C14H13BBrFO3
Molecular Weight:
338.9646
MDL Number:
MFCD06411359
IUPAC Name:
[3-bromo-2-[(3-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H13BBrFO3/c1-9-5-12(15(18)19)14(13(16)6-9)20-8-10-3-2-4-11(17)7-10/h2-7,18-19H,8H2,1H3
InChI Key:
NOUJKVHYFUPYNQ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)COc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.013g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.967g/mol
Monoisotopic Mass:
338.013g/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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