| CAS Number | 568551-62-2 |
| Catalog Number | AG019HZ0 |
| Chemical Name | 3-[(3-Bromo-4-methoxyphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H12BrNO5S/c1-21-13-6-5-10(8-12(13)15)16-22(19,20)11-4-2-3-9(7-11)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChI Key | MRDCGNWZIAKLBP-UHFFFAOYSA-N |
| MDL Number | MFCD03968032 |
| Molecular Formula | C14H12BrNO5S |
| Molecular Weight | 386.2178 |
| SMILES | COC1=C(Br)C=C(NS(C2=CC(C(O)=O)=CC=C2)(=O)=O)C=C1 |
| Synonyms | 3-[(3-bromo-4-methoxyphenyl)sulfamoyl]benzoic acid,
568551-62-2,
3-(3-Bromo-4-methoxy-phenylsulfamoyl)-benzoic acid,
AC1MW9N4,
AC1Q4DH4,
CTK7A5599,
ZINC3886254,
AKOS034464073,
MCULE-2830286368,
NE12706,
EN300-05155,
SR-01000040314,
SR-01000040314-1,
Z56893105,
CID3745726,
3-[(3-bromo-4-methoxy-phenyl)sulfamoyl]benzoic Acid,
|
| Complexity | 492 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.216g/mol |
| Monoisotopic Mass | 384.962g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number