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Home > Boronic Acids > 1260757-41-2
1260757-41-2 | Boronic acid, B-(2-bromo-3,6-difluorophenyl)-
CAS No: 1260757-41-2 Catalog No: AG000R3N MDL No:MFCD12026702
Product Description
Catalog Number:
AG000R3N
Chemical Name:
Boronic acid, B-(2-bromo-3,6-difluorophenyl)-
CAS Number:
1260757-41-2
Molecular Formula:
C6H4BBrF2O2
Molecular Weight:
236.8066
MDL Number:
MFCD12026702
IUPAC Name:
(2-bromo-3,6-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BBrF2O2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,11-12H
InChI Key:
CVXDUHUMVYJZPU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1Br)B(O)O)F
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.807g/mol
Monoisotopic Mass:
235.946g/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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