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Home > Boronic Acids > 871126-17-9
871126-17-9 | (6-Bromo-2-fluoro-3-methoxyphenyl);boronic acid
CAS No: 871126-17-9 Catalog No: AG008FF7 MDL No:MFCD09258756
Product Description
Catalog Number:
AG008FF7
Chemical Name:
(6-Bromo-2-fluoro-3-methoxyphenyl);boronic acid
CAS Number:
871126-17-9
Molecular Formula:
C7H7BBrFO3
Molecular Weight:
248.8421
MDL Number:
MFCD09258756
IUPAC Name:
(6-bromo-2-fluoro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
NUWSIUDCKHWOJN-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1F)B(O)O)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.966g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.842g/mol
Monoisotopic Mass:
247.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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