Home Sulfos Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-

Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-

CAS No.:
22361-64-4
Catalog Number:
AG007OOZ
Molecular Formula:
C11H14BrNO4S
Molecular Weight:
336.2022
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Product Description
Catalog Number:
AG007OOZ
Chemical Name:
Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-
CAS Number:
22361-64-4
Molecular Formula:
C11H14BrNO4S
Molecular Weight:
336.2022
MDL Number:
MFCD00760904
IUPAC Name:
2-bromo-5-(diethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChI Key:
SUMISZHUFQXXJD-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)C(=O)O)Br)CC
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.983g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
336.2g/mol
Monoisotopic Mass:
334.983g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties