Home Halogens 3-[(4-bromophenyl)sulfamoyl]benzoic acid

3-[(4-bromophenyl)sulfamoyl]benzoic acid

CAS No.:
300667-30-5
Catalog Number:
AG00I5LW
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
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Product Description
Catalog Number:
AG00I5LW
Chemical Name:
3-[(4-bromophenyl)sulfamoyl]benzoic acid
CAS Number:
300667-30-5
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
MDL Number:
MFCD00622726
IUPAC Name:
3-[(4-bromophenyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C13H10BrNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
FSENLNZWRUKHDI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.951g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.19g/mol
Monoisotopic Mass:
354.951g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties