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Home > Boronic Acids > 957035-10-8
957035-10-8 | 3-Benzyloxy-6-bromo-2-fluorophenylboronic acid
CAS No: 957035-10-8 Catalog No: AG003IYU MDL No:MFCD09475868
Product Description
Catalog Number:
AG003IYU
Chemical Name:
3-Benzyloxy-6-bromo-2-fluorophenylboronic acid
CAS Number:
957035-10-8
Molecular Formula:
C13H11BBrFO3
Molecular Weight:
324.9380
MDL Number:
MFCD09475868
IUPAC Name:
(6-bromo-2-fluoro-3-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BBrFO3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
JAERYDUIJCJVFJ-UHFFFAOYSA-N
SMILES:
OB(c1c(Br)ccc(c1F)OCc1ccccc1)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.997g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.94g/mol
Monoisotopic Mass:
323.997g/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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