200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1451391-45-9
1451391-45-9 | (4-bromo-3,5-dimethylphenyl)boronic acid
CAS No: 1451391-45-9 Catalog No: AG01DD0C MDL No:MFCD23713094
Product Description
Catalog Number:
AG01DD0C
Chemical Name:
(4-bromo-3,5-dimethylphenyl)boronic acid
CAS Number:
1451391-45-9
Molecular Formula:
C8H10BBrO2
Molecular Weight:
228.8788
MDL Number:
MFCD23713094
IUPAC Name:
(4-bromo-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,11-12H,1-2H3
InChI Key:
RJGXQMYJURBWIO-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(c(c1)C)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
Related Products
© 2019 Angene International Limited. All rights Reserved.