Home Sulfos 2-(5-bromo-2-ethoxybenzenesulfonamido)benzoic acid

2-(5-bromo-2-ethoxybenzenesulfonamido)benzoic acid

CAS No.:
327072-95-7
Catalog Number:
AG019GK7
Molecular Formula:
C15H14BrNO5S
Molecular Weight:
400.2444
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Product Description
Catalog Number:
AG019GK7
Chemical Name:
2-(5-bromo-2-ethoxybenzenesulfonamido)benzoic acid
CAS Number:
327072-95-7
Molecular Formula:
C15H14BrNO5S
Molecular Weight:
400.2444
MDL Number:
MFCD02706755
IUPAC Name:
2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C15H14BrNO5S/c1-2-22-13-8-7-10(16)9-14(13)23(20,21)17-12-6-4-3-5-11(12)15(18)19/h3-9,17H,2H2,1H3,(H,18,19)
InChI Key:
BRJNFERKOINKQG-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1S(=O)(=O)Nc1ccccc1C(=O)O)Br
Properties
Complexity:
507  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.978g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
400.243g/mol
Monoisotopic Mass:
398.978g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties