Home Halogens 5-bromo-2-methyl-3-sulfamoylbenzoic acid

5-bromo-2-methyl-3-sulfamoylbenzoic acid

CAS No.:
1375472-31-3
Catalog Number:
AG019TJM
Molecular Formula:
C8H8BrNO4S
Molecular Weight:
294.1224
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Product Description
Catalog Number:
AG019TJM
Chemical Name:
5-bromo-2-methyl-3-sulfamoylbenzoic acid
CAS Number:
1375472-31-3
Molecular Formula:
C8H8BrNO4S
Molecular Weight:
294.1224
MDL Number:
MFCD21215116
IUPAC Name:
5-bromo-2-methyl-3-sulfamoylbenzoic acid
InChI:
InChI=1S/C8H8BrNO4S/c1-4-6(8(11)12)2-5(9)3-7(4)15(10,13)14/h2-3H,1H3,(H,11,12)(H2,10,13,14)
InChI Key:
RVOLFSDFYXOZOL-UHFFFAOYSA-N
SMILES:
Brc1cc(C(=O)O)c(c(c1)S(=O)(=O)N)C
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.936g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
294.119g/mol
Monoisotopic Mass:
292.936g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties