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Home > Boronic Acids > 1451391-48-2
1451391-48-2 | (4-bromo-5-chloro-2-methylphenyl)boronic acid
CAS No: 1451391-48-2 Catalog No: AG01DD2G MDL No:MFCD22543713
Product Description
Catalog Number:
AG01DD2G
Chemical Name:
(4-bromo-5-chloro-2-methylphenyl)boronic acid
CAS Number:
1451391-48-2
Molecular Formula:
C7H7BBrClO2
Molecular Weight:
249.2973
MDL Number:
MFCD22543713
IUPAC Name:
(4-bromo-5-chloro-2-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrClO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,11-12H,1H3
InChI Key:
QUSLUGGNEDZERY-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(cc1C)Br)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.295g/mol
Monoisotopic Mass:
247.941g/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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