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Home > Boronic Acids > 1217501-34-2
1217501-34-2 | Boronic acid, B-[4-(propylsulfonyl)phenyl]-
CAS No: 1217501-34-2 Catalog No: AG0015S6 MDL No:MFCD13195655
Product Description
Catalog Number:
AG0015S6
Chemical Name:
Boronic acid, B-[4-(propylsulfonyl)phenyl]-
CAS Number:
1217501-34-2
Molecular Formula:
C9H13BO4S
Molecular Weight:
228.0731
MDL Number:
MFCD13195655
IUPAC Name:
(4-propylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO4S/c1-2-7-15(13,14)9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3
InChI Key:
JWRPDLRKXOTPJH-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
275
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:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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