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Home > Boronic Acids > 1150114-49-0
1150114-49-0 | Boronic acid, B-[2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl]-
CAS No: 1150114-49-0 Catalog No: AG000FMS MDL No:MFCD12025967
Product Description
Catalog Number:
AG000FMS
Chemical Name:
Boronic acid, B-[2-methyl-5-[(trifluoromethyl)sulfonyl]phenyl]-
CAS Number:
1150114-49-0
Molecular Formula:
C8H8BF3O4S
Molecular Weight:
268.0179
MDL Number:
MFCD12025967
IUPAC Name:
[2-methyl-5-(trifluoromethylsulfonyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O4S/c1-5-2-3-6(4-7(5)9(13)14)17(15,16)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
ZYVAJJOEQOUMOF-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)S(=O)(=O)C(F)(F)F)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.013g/mol
Monoisotopic Mass:
268.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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