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Home > Boronic Acids > 1217501-28-4
1217501-28-4 | Boronic acid, B-(4-bromo-3-chlorophenyl)-
CAS No: 1217501-28-4 Catalog No: AG0015SC MDL No:MFCD12913945
Product Description
Catalog Number:
AG0015SC
Chemical Name:
Boronic acid, B-(4-bromo-3-chlorophenyl)-
CAS Number:
1217501-28-4
Molecular Formula:
C6H5BBrClO2
Molecular Weight:
235.2707
MDL Number:
MFCD12913945
IUPAC Name:
(4-bromo-3-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key:
JPQSXMYVYQZQOV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)Cl)Br)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:
233.925g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.268g/mol
Monoisotopic Mass:
233.925g/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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