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Home > Boronic Acids > 870778-86-2
870778-86-2 | (3-Bromo-2-((2-fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 870778-86-2 Catalog No: AG003IZP MDL No:MFCD06798106
Product Description
Catalog Number:
AG003IZP
Chemical Name:
(3-Bromo-2-((2-fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
870778-86-2
Molecular Formula:
C13H11BBrFO3
Molecular Weight:
324.9380
MDL Number:
MFCD06798106
IUPAC Name:
[3-bromo-2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrFO3/c15-11-6-3-5-10(14(17)18)13(11)19-8-9-4-1-2-7-12(9)16/h1-7,17-18H,8H2
InChI Key:
XTBIXNSHJQLMFR-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1OCc1ccccc1F)Br)O
Properties
Complexity:
283
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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