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Home > Boronic Acids > 1160561-24-9
1160561-24-9 | Boronic acid, B-(4-bromo-2,6-dimethylphenyl)-
CAS No: 1160561-24-9 Catalog No: AG000BI0 MDL No:MFCD13181651
Product Description
Catalog Number:
AG000BI0
Chemical Name:
Boronic acid, B-(4-bromo-2,6-dimethylphenyl)-
CAS Number:
1160561-24-9
Molecular Formula:
C8H10BBrO2
Molecular Weight:
228.8788
MDL Number:
MFCD13181651
IUPAC Name:
(4-bromo-2,6-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,11-12H,1-2H3
InChI Key:
OGYKUMRPICACAC-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(cc1C)Br)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.88g/mol
Monoisotopic Mass:
227.996g/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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