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Home > Boronic Acids > 1309980-99-1
1309980-99-1 | Boronic acid, B-(6-bromo-2-fluoro-3-hydroxyphenyl)-
CAS No: 1309980-99-1 Catalog No: AG000V96 MDL No:MFCD12026728
Product Description
Catalog Number:
AG000V96
Chemical Name:
Boronic acid, B-(6-bromo-2-fluoro-3-hydroxyphenyl)-
CAS Number:
1309980-99-1
Molecular Formula:
C6H5BBrFO3
Molecular Weight:
234.8155
MDL Number:
MFCD12026728
IUPAC Name:
(6-bromo-2-fluoro-3-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H5BBrFO3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10-12H
InChI Key:
BTRGQSVQZIGVLU-UHFFFAOYSA-N
SMILES:
OB(c1c(Br)ccc(c1F)O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.815g/mol
Monoisotopic Mass:
233.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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