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Home > Boronic Acids > 1217501-12-6
1217501-12-6 | Boronic acid, B-(2-bromo-4-fluorophenyl)-
CAS No: 1217501-12-6 Catalog No: AG0015RD MDL No:MFCD13195647
Product Description
Catalog Number:
AG0015RD
Chemical Name:
Boronic acid, B-(2-bromo-4-fluorophenyl)-
CAS Number:
1217501-12-6
Molecular Formula:
C6H5BBrFO2
Molecular Weight:
218.8161
MDL Number:
MFCD13195647
IUPAC Name:
(2-bromo-4-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H
InChI Key:
BHXVZYJULSWULU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Br)B(O)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.816g/mol
Monoisotopic Mass:
217.955g/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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