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Home > Boronic Acids > 849062-18-6
849062-18-6 | (3-Bromo-2-((2-fluorobenzyl)oxy)-5-methylphenyl)boronic acid
CAS No: 849062-18-6 Catalog No: AG003IZO MDL No:MFCD06798104
Product Description
Catalog Number:
AG003IZO
Chemical Name:
(3-Bromo-2-((2-fluorobenzyl)oxy)-5-methylphenyl)boronic acid
CAS Number:
849062-18-6
Molecular Formula:
C14H13BBrFO3
Molecular Weight:
338.9646
MDL Number:
MFCD06798104
IUPAC Name:
[3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
InChI:
InChI=1S/C14H13BBrFO3/c1-9-6-11(15(18)19)14(12(16)7-9)20-8-10-4-2-3-5-13(10)17/h2-7,18-19H,8H2,1H3
InChI Key:
RJFAJIGWAZAOBQ-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)B(O)O)OCc1ccccc1F
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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