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Home > Boronic Acids > 1315339-48-0

1315339-48-0

1315339-48-0 | Boronic acid, B-(2-bromo-4,6-difluorophenyl)-

CAS No: 1315339-48-0 Catalog No: AG000ZC9 MDL No:MFCD09751350

Product Description

Catalog Number:
AG000ZC9
Chemical Name:
Boronic acid, B-(2-bromo-4,6-difluorophenyl)-
CAS Number:
1315339-48-0
Molecular Formula:
C6H4BBrF2O2
Molecular Weight:
236.8066
MDL Number:
MFCD09751350
IUPAC Name:
(2-bromo-4,6-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BBrF2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2,11-12H
InChI Key:
POXLFROUJDNFPQ-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)Br)B(O)O

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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