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Home > Boronic Acids > 1256346-43-6
1256346-43-6 | Boronic acid, B-(5-bromo-3,4-difluoro-2-methoxyphenyl)-
CAS No: 1256346-43-6 Catalog No: AG000O25 MDL No:MFCD17015748
Product Description
Catalog Number:
AG000O25
Chemical Name:
Boronic acid, B-(5-bromo-3,4-difluoro-2-methoxyphenyl)-
CAS Number:
1256346-43-6
Molecular Formula:
C7H6BBrF2O3
Molecular Weight:
266.8325
MDL Number:
MFCD17015748
IUPAC Name:
(5-bromo-3,4-difluoro-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H6BBrF2O3/c1-14-7-3(8(12)13)2-4(9)5(10)6(7)11/h2,12-13H,1H3
InChI Key:
IBSPNDUNUBIEKB-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1F)F)Br)B(O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.833g/mol
Monoisotopic Mass:
265.956g/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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