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Home > Boronic Acids > 915402-02-7
915402-02-7 | 3-(2,2-DIFLUOROETHYLTHIO)-BENZENEBORONIC ACID
CAS No: 915402-02-7 Catalog No: AG006L6H MDL No:
Product Description
Catalog Number:
AG006L6H
Chemical Name:
3-(2,2-DIFLUOROETHYLTHIO)-BENZENEBORONIC ACID
CAS Number:
915402-02-7
Molecular Formula:
C8H9BF2O2S
Molecular Weight:
218.0287
IUPAC Name:
[3-(2,2-difluoroethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BF2O2S/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4,8,12-13H,5H2
InChI Key:
PRMUZXGMCOKPHU-UHFFFAOYSA-N
SMILES:
FC(CSc1cccc(c1)B(O)O)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.025g/mol
Monoisotopic Mass:
218.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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