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Home > Boronic Acids > 871333-01-6
871333-01-6 | (2-Methyl-5-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
CAS No: 871333-01-6 Catalog No: AG0036D6 MDL No:MFCD08056365
Product Description
Catalog Number:
AG0036D6
Chemical Name:
(2-Methyl-5-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
CAS Number:
871333-01-6
Molecular Formula:
C11H16BNO4S
Molecular Weight:
269.1250
MDL Number:
MFCD08056365
IUPAC Name:
(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO4S/c1-9-4-5-10(8-11(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:
IWOBOEZYVVBMGG-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)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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