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Home > Boronic Acids > 149104-88-1
149104-88-1 | Boronic acid, B-[4-(methylsulfonyl)phenyl]-
CAS No: 149104-88-1 Catalog No: AG001LE2 MDL No:MFCD01630820
Product Description
Catalog Number:
AG001LE2
Chemical Name:
Boronic acid, B-[4-(methylsulfonyl)phenyl]-
CAS Number:
149104-88-1
Molecular Formula:
C7H9BO4S
Molecular Weight:
200.0200
MDL Number:
MFCD01630820
IUPAC Name:
(4-methylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key:
VDUKDQTYMWUSAC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)C)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.015g/mol
Monoisotopic Mass:
200.031g/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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