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Home > Boronic Acids > 130870-00-7
130870-00-7 | Boronic acid, B-(4-bromo-2,5-dimethylphenyl)-
CAS No: 130870-00-7 Catalog No: AG000V1Q MDL No:MFCD04115647
Product Description
Catalog Number:
AG000V1Q
Chemical Name:
Boronic acid, B-(4-bromo-2,5-dimethylphenyl)-
CAS Number:
130870-00-7
Molecular Formula:
C8H10BBrO2
Molecular Weight:
228.8788
MDL Number:
MFCD04115647
IUPAC Name:
(4-bromo-2,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4,11-12H,1-2H3
InChI Key:
FUVZURQKCDUKIR-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(cc1C)Br)O
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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