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Home > Boronic Acids > 162101-25-9

162101-25-9

162101-25-9 | Boronic acid, B-(2,6-difluorophenyl)-

CAS No: 162101-25-9 Catalog No: AG001SQQ MDL No:MFCD00792436

Product Description

Catalog Number:
AG001SQQ
Chemical Name:
Boronic acid, B-(2,6-difluorophenyl)-
CAS Number:
162101-25-9
Molecular Formula:
C6H5BF2O2
Molecular Weight:
157.9105
MDL Number:
MFCD00792436
IUPAC Name:
(2,6-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key:
DBZAICSEFBVFHL-UHFFFAOYSA-N
SMILES:
OB(c1c(F)cccc1F)O

Properties

Complexity:
124  
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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