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Home > Boronic Acids > 957120-61-5
957120-61-5 | (5-Bromo-2-fluoro-3-methylphenyl);boronic acid
CAS No: 957120-61-5 Catalog No: AG005YDA MDL No:MFCD09800868
Product Description
Catalog Number:
AG005YDA
Chemical Name:
(5-Bromo-2-fluoro-3-methylphenyl);boronic acid
CAS Number:
957120-61-5
Molecular Formula:
C7H7BBrFO2
Molecular Weight:
232.8427
MDL Number:
MFCD09800868
IUPAC Name:
(5-bromo-2-fluoro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
VLFDXHTXMHURJH-UHFFFAOYSA-N
SMILES:
Brc1cc(B(O)O)c(c(c1)C)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.843g/mol
Monoisotopic Mass:
231.971g/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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