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Home > Boronic Acids > 1072946-16-7
1072946-16-7 | (4-(Methylsulfonyl)-2-(trifluoromethyl)phenyl)boronic acid
CAS No: 1072946-16-7 Catalog No: AG00380P MDL No:MFCD10699623
Product Description
Catalog Number:
AG00380P
Chemical Name:
(4-(Methylsulfonyl)-2-(trifluoromethyl)phenyl)boronic acid
CAS Number:
1072946-16-7
Molecular Formula:
C8H8BF3O4S
Molecular Weight:
268.0179
MDL Number:
MFCD10699623
IUPAC Name:
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O4S/c1-17(15,16)5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
KRVRNINHXGLIEL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(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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