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Home > Boronic Acids > 1046861-20-4
1046861-20-4 | (4-Bromo-2-chlorophenyl);boronic acid
CAS No: 1046861-20-4 Catalog No: AG007GOM MDL No:MFCD13195646
Product Description
Catalog Number:
AG007GOM
Chemical Name:
(4-Bromo-2-chlorophenyl);boronic acid
CAS Number:
1046861-20-4
Molecular Formula:
C6H5BBrClO2
Molecular Weight:
235.2707
MDL Number:
MFCD13195646
IUPAC Name:
(4-bromo-2-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChI Key:
HVPHTYHDVLGKMO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)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:
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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