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Home > Boronic Acids > 849062-19-7
849062-19-7 | (3-Bromo-2,4,6-trimethylphenyl)boronic acid
CAS No: 849062-19-7 Catalog No: AG003IZY MDL No:MFCD06798059
Product Description
Catalog Number:
AG003IZY
Chemical Name:
(3-Bromo-2,4,6-trimethylphenyl)boronic acid
CAS Number:
849062-19-7
Molecular Formula:
C9H12BBrO2
Molecular Weight:
242.9054
MDL Number:
MFCD06798059
IUPAC Name:
(3-bromo-2,4,6-trimethylphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO2/c1-5-4-6(2)9(11)7(3)8(5)10(12)13/h4,12-13H,1-3H3
InChI Key:
JFQLVBOLIWMAIN-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(c(c1C)Br)C)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.907g/mol
Monoisotopic Mass:
242.011g/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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