Home Boronic acids [4-[(ethylsulfonylamino)methyl]phenyl]boronic acid

[4-[(ethylsulfonylamino)methyl]phenyl]boronic acid

CAS No.:
1509931-31-0
Catalog Number:
AG01CK2F
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
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Product Description
Catalog Number:
AG01CK2F
Chemical Name:
[4-[(ethylsulfonylamino)methyl]phenyl]boronic acid
CAS Number:
1509931-31-0
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
MDL Number:
MFCD31636153
IUPAC Name:
[4-[(ethylsulfonylamino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C9H14BNO4S/c1-2-16(14,15)11-7-8-3-5-9(6-4-8)10(12)13/h3-6,11-13H,2,7H2,1H3
InChI Key:
QHCYTDXDVUMVMA-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)NCc1ccc(cc1)B(O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
243.084g/mol
Monoisotopic Mass:
243.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties