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Home > Boronic Acids > 1259318-83-6
1259318-83-6 | Boronic acid, B-(3-bromo-2,5-dimethylphenyl)-
CAS No: 1259318-83-6 Catalog No: AG000OYZ MDL No:MFCD12026703
Product Description
Catalog Number:
AG000OYZ
Chemical Name:
Boronic acid, B-(3-bromo-2,5-dimethylphenyl)-
CAS Number:
1259318-83-6
Molecular Formula:
C8H10BBrO2
Molecular Weight:
228.8788
MDL Number:
MFCD12026703
IUPAC Name:
(3-bromo-2,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO2/c1-5-3-7(9(11)12)6(2)8(10)4-5/h3-4,11-12H,1-2H3
InChI Key:
URNNEMQNWANJJC-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)B(O)O)C
Properties
Complexity:
154
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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