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Home > Boronic Acids > 849062-37-9
849062-37-9 | (3-Bromo-5-fluorophenyl);boronic acid
CAS No: 849062-37-9 Catalog No: AG008FS8 MDL No:MFCD06411356
Product Description
Catalog Number:
AG008FS8
Chemical Name:
(3-Bromo-5-fluorophenyl);boronic acid
CAS Number:
849062-37-9
Molecular Formula:
C6H5BBrFO2
Molecular Weight:
218.8161
MDL Number:
MFCD06411356
IUPAC Name:
(3-bromo-5-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChI Key:
UVKKALLRVWTDOY-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)cc(c1)B(O)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.816g/mol
Monoisotopic Mass:
217.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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