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Home > Boronic Acids > 957120-28-4
957120-28-4 | (6-Bromo-2-chloro-3-methylphenyl);boronic acid
CAS No: 957120-28-4 Catalog No: AG003BYP MDL No:MFCD09475910
Product Description
Catalog Number:
AG003BYP
Chemical Name:
(6-Bromo-2-chloro-3-methylphenyl);boronic acid
CAS Number:
957120-28-4
Molecular Formula:
C7H7BBrClO2
Molecular Weight:
249.2973
MDL Number:
MFCD09475910
IUPAC Name:
(6-bromo-2-chloro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BBrClO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
PULIDPRGYYCQEZ-UHFFFAOYSA-N
SMILES:
OB(c1c(Br)ccc(c1Cl)C)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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