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Home > Boronic Acids > 1417301-54-2
1417301-54-2 | [4-Methanesulfonyl-3-(trifluoromethyl)phenyl]boronic acid
CAS No: 1417301-54-2 Catalog No: AG00HW6H MDL No:MFCD27935820
Product Description
Catalog Number:
AG00HW6H
Chemical Name:
[4-Methanesulfonyl-3-(trifluoromethyl)phenyl]boronic acid
CAS Number:
1417301-54-2
Molecular Formula:
C8H8BF3O4S
Molecular Weight:
268.0179
MDL Number:
MFCD27935820
IUPAC Name:
[4-methylsulfonyl-3-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O4S/c1-17(15,16)7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
RJZYFKLWPQHPTQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C)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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