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Home > Boronic Acids > 870778-96-4
870778-96-4 | (2,4-Dibromo-6-fluorophenyl);boronic acid
CAS No: 870778-96-4 Catalog No: AG003FPN MDL No:MFCD07784352
Product Description
Catalog Number:
AG003FPN
Chemical Name:
(2,4-Dibromo-6-fluorophenyl);boronic acid
CAS Number:
870778-96-4
Molecular Formula:
C6H4BBr2FO2
Molecular Weight:
297.7122
MDL Number:
MFCD07784352
IUPAC Name:
(2,4-dibromo-6-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BBr2FO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChI Key:
HZNUDGYZJPJQTD-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1)Br)B(O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.863g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.712g/mol
Monoisotopic Mass:
295.866g/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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