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Home > Boronic Acids > 1704097-46-0
1704097-46-0 | (4-(N-cyclopentylsulfaMoyl)-3,5-diMethylphenyl)boronic acid
CAS No: 1704097-46-0 Catalog No: AG00ARDH MDL No:
Product Description
Catalog Number:
AG00ARDH
Chemical Name:
(4-(N-cyclopentylsulfaMoyl)-3,5-diMethylphenyl)boronic acid
CAS Number:
1704097-46-0
Molecular Formula:
C13H20BNO4S
Molecular Weight:
297.1782
IUPAC Name:
[4-(cyclopentylsulfamoyl)-3,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C13H20BNO4S/c1-9-7-11(14(16)17)8-10(2)13(9)20(18,19)15-12-5-3-4-6-12/h7-8,12,15-17H,3-6H2,1-2H3
InChI Key:
OTXYDMVQKWRULL-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(c(c1)C)S(=O)(=O)NC1CCCC1)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.176g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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