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Home > Boronic Acids > 1318768-42-1
1318768-42-1 | 3-(Isopropanesulfonyl)phenylboronic acid
CAS No: 1318768-42-1 Catalog No: AG00HSLF MDL No:MFCD27935694
Product Description
Catalog Number:
AG00HSLF
Chemical Name:
3-(Isopropanesulfonyl)phenylboronic acid
CAS Number:
1318768-42-1
Molecular Formula:
C9H13BO4S
Molecular Weight:
228.0731
MDL Number:
MFCD27935694
IUPAC Name:
(3-propan-2-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO4S/c1-7(2)15(13,14)9-5-3-4-8(6-9)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
DGXSDARQWGOCEY-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=O)(=O)C(C)C)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.069g/mol
Monoisotopic Mass:
228.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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