200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 947533-13-3
947533-13-3 | 3-(TRIFLUOROMETHYLTHIO)-BENZENEBORONIC ACID
CAS No: 947533-13-3 Catalog No: AG0068HK MDL No:
Product Description
Catalog Number:
AG0068HK
Chemical Name:
3-(TRIFLUOROMETHYLTHIO)-BENZENEBORONIC ACID
CAS Number:
947533-13-3
Molecular Formula:
C7H6BF3O2S
Molecular Weight:
221.9925
IUPAC Name:
[3-(trifluoromethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O2S/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
InChI Key:
IBWJIDZQUVCSRA-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SC(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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.