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Home > Boronic Acids > 957120-85-3
957120-85-3 | (3-Bromo-2-chloro-5-(trifluoromethyl);phenyl);boronic acid
CAS No: 957120-85-3 Catalog No: AG006BL5 MDL No:MFCD09800879
Product Description
Catalog Number:
AG006BL5
Chemical Name:
(3-Bromo-2-chloro-5-(trifluoromethyl);phenyl);boronic acid
CAS Number:
957120-85-3
Molecular Formula:
C7H4BBrClF3O2
Molecular Weight:
303.2687
MDL Number:
MFCD09800879
IUPAC Name:
[3-bromo-2-chloro-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H4BBrClF3O2/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14)15/h1-2,14-15H
InChI Key:
DBIZIJSYGAIRIZ-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1Cl)Br)C(F)(F)F)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.913g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.266g/mol
Monoisotopic Mass:
301.913g/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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