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Home > Boronic Acids > 168267-41-2
168267-41-2 | Boronic acid, B-(3,4-difluorophenyl)-
CAS No: 168267-41-2 Catalog No: AG001XYI MDL No:MFCD00807405
Product Description
Catalog Number:
AG001XYI
Chemical Name:
Boronic acid, B-(3,4-difluorophenyl)-
CAS Number:
168267-41-2
Molecular Formula:
C6H5BF2O2
Molecular Weight:
157.9105
MDL Number:
MFCD00807405
IUPAC Name:
(3,4-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key:
RMGYQBHKEWWTOY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)F)F)O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.911g/mol
Monoisotopic Mass:
158.035g/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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