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1217501-54-6

1217501-54-6 | Boronic acid, B-[4-[(diethylamino)sulfonyl]-2-methylphenyl]-

CAS No: 1217501-54-6 Catalog No: AG0015SX MDL No:MFCD13195674

Product Description

Catalog Number:
AG0015SX
Chemical Name:
Boronic acid, B-[4-[(diethylamino)sulfonyl]-2-methylphenyl]-
CAS Number:
1217501-54-6
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD13195674
IUPAC Name:
[4-(diethylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-4-13(5-2)18(16,17)10-6-7-11(12(14)15)9(3)8-10/h6-8,14-15H,4-5H2,1-3H3
InChI Key:
VBGGYOPYJVELPF-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)C)B(O)O)CC

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.138g/mol
Monoisotopic Mass:
271.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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