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Home > Boronic Acids > 1217501-51-3
1217501-51-3 | Boronic acid, B-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenyl]-
CAS No: 1217501-51-3 Catalog No: AG0015T0 MDL No:MFCD13195671
Product Description
Catalog Number:
AG0015T0
Chemical Name:
Boronic acid, B-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenyl]-
CAS Number:
1217501-51-3
Molecular Formula:
C11H16BNO4S
Molecular Weight:
269.1250
MDL Number:
MFCD13195671
IUPAC Name:
(2-methyl-4-pyrrolidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO4S/c1-9-8-10(4-5-11(9)12(14)15)18(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChI Key:
VOSJSAOOIDIZAB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)S(=O)(=O)N1CCCC1)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.122g/mol
Monoisotopic Mass:
269.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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