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Home > Boronic Acids > 849052-22-8
849052-22-8 | (3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronic acid
CAS No: 849052-22-8 Catalog No: AG003IZT MDL No:MFCD06411372
Product Description
Catalog Number:
AG003IZT
Chemical Name:
(3-Bromo-2-((4-fluorobenzyl)oxy)phenyl)boronic acid
CAS Number:
849052-22-8
Molecular Formula:
C13H11BBrFO3
Molecular Weight:
324.9380
MDL Number:
MFCD06411372
IUPAC Name:
[3-bromo-2-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrFO3/c15-12-3-1-2-11(14(17)18)13(12)19-8-9-4-6-10(16)7-5-9/h1-7,17-18H,8H2
InChI Key:
FAGFWOJETYFVAS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)COc1c(Br)cccc1B(O)O
Properties
Complexity:
275
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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