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Home > Boronic Acids > 352534-85-1
352534-85-1 | (3-Bromo-2-butoxy-5-fluorophenyl)boronic acid
CAS No: 352534-85-1 Catalog No: AG003J05 MDL No:MFCD06411282
Product Description
Catalog Number:
AG003J05
Chemical Name:
(3-Bromo-2-butoxy-5-fluorophenyl)boronic acid
CAS Number:
352534-85-1
Molecular Formula:
C10H13BBrFO3
Molecular Weight:
290.9218
MDL Number:
MFCD06411282
IUPAC Name:
(3-bromo-2-butoxy-5-fluorophenyl)boronic acid
InChI:
InChI=1S/C10H13BBrFO3/c1-2-3-4-16-10-8(11(14)15)5-7(13)6-9(10)12/h5-6,14-15H,2-4H2,1H3
InChI Key:
DREJEOAXSCRYPA-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Br)cc(cc1B(O)O)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.923g/mol
Monoisotopic Mass:
290.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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