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Home > Boronic Acids > 957121-11-8
957121-11-8 | (2-(Methylthio)-5-(trifluoromethoxy)phenyl)boronic acid
CAS No: 957121-11-8 Catalog No: AG00H80S MDL No:MFCD09800888
Product Description
Catalog Number:
AG00H80S
Chemical Name:
(2-(Methylthio)-5-(trifluoromethoxy)phenyl)boronic acid
CAS Number:
957121-11-8
Molecular Formula:
C8H8BF3O3S
Molecular Weight:
252.0185
MDL Number:
MFCD09800888
IUPAC Name:
[2-methylsulfanyl-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3S/c1-16-7-3-2-5(15-8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
InChI Key:
RYFVCYILRFDPBU-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1B(O)O)OC(F)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.014g/mol
Monoisotopic Mass:
252.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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