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Home > Boronic Acids > 947533-17-7
947533-17-7 | 2-(TRIFLUOROMETHYLTHIO)-BENZENEBORONIC ACID
CAS No: 947533-17-7 Catalog No: AG006SC2 MDL No:
Product Description
Catalog Number:
AG006SC2
Chemical Name:
2-(TRIFLUOROMETHYLTHIO)-BENZENEBORONIC ACID
CAS Number:
947533-17-7
Molecular Formula:
C7H6BF3O2S
Molecular Weight:
221.9925
IUPAC Name:
[2-(trifluoromethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O2S/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H
InChI Key:
KSFRBBDVEFOBBU-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1SC(F)(F)F)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.988g/mol
Monoisotopic Mass:
222.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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