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Home > Boronic Acids > 957060-85-4
957060-85-4 | 2-Fluoro-4-(methylsulfonyl);phenylboronic acid
CAS No: 957060-85-4 Catalog No: AG003H96 MDL No:MFCD09027248
Product Description
Catalog Number:
AG003H96
Chemical Name:
2-Fluoro-4-(methylsulfonyl);phenylboronic acid
CAS Number:
957060-85-4
Molecular Formula:
C7H8BFO4S
Molecular Weight:
218.0104
MDL Number:
MFCD09027248
IUPAC Name:
(2-fluoro-4-methylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChI Key:
VTSHDQJNJIIHGS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1F)S(=O)(=O)C)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.005g/mol
Monoisotopic Mass:
218.022g/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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