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Home > Boronic Acids > 1072945-99-3
1072945-99-3 | 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid
CAS No: 1072945-99-3 Catalog No: AG007ES9 MDL No:MFCD09972107
Product Description
Catalog Number:
AG007ES9
Chemical Name:
4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid
CAS Number:
1072945-99-3
Molecular Formula:
C8H8BF3O2S
Molecular Weight:
236.0191
MDL Number:
MFCD09972107
IUPAC Name:
[4-methylsulfanyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O2S/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
CIDYXSCTMDUKPX-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C(F)(F)F)B(O)O
Properties
Complexity:
213
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:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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