Home Boronic acids 3-(Di-n-propylsulfamoyl)benzeneboronic acid

3-(Di-n-propylsulfamoyl)benzeneboronic acid

CAS No.:
1449145-31-6
Catalog Number:
AG00HXC9
Molecular Formula:
C12H20BNO4S
Molecular Weight:
285.1675
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Product Description
Catalog Number:
AG00HXC9
Chemical Name:
3-(Di-n-propylsulfamoyl)benzeneboronic acid
CAS Number:
1449145-31-6
Molecular Formula:
C12H20BNO4S
Molecular Weight:
285.1675
MDL Number:
MFCD20265249
IUPAC Name:
[3-(dipropylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H20BNO4S/c1-3-8-14(9-4-2)19(17,18)12-7-5-6-11(10-12)13(15)16/h5-7,10,15-16H,3-4,8-9H2,1-2H3
InChI Key:
NUYSZOMJDYKRCE-UHFFFAOYSA-N
SMILES:
CCCN(S(=O)(=O)c1cccc(c1)B(O)O)CCC
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.165g/mol
Monoisotopic Mass:
285.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties