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Home > Boronic Acids > 915402-00-5
915402-00-5 | 3-(2,2,2-TRIFLUOROETHYLTHIO)-BENZENEBORONIC ACID
CAS No: 915402-00-5 Catalog No: AG006L6J MDL No:
Product Description
Catalog Number:
AG006L6J
Chemical Name:
3-(2,2,2-TRIFLUOROETHYLTHIO)-BENZENEBORONIC ACID
CAS Number:
915402-00-5
Molecular Formula:
C8H8BF3O2S
Molecular Weight:
236.0191
IUPAC Name:
[3-(2,2,2-trifluoroethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2S/c10-8(11,12)5-15-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2
InChI Key:
ORNQEDKTMCJEHC-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SCC(F)(F)F)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.015g/mol
Monoisotopic Mass:
236.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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