| CAS Number | 784171-99-9 |
| Catalog Number | AG019JW0 |
| Chemical Name | 2-Bromo-5-([(2-methoxyethyl)amino]sulfonyl)benzoic acid |
| IUPAC Name | 2-bromo-5-(2-methoxyethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H12BrNO5S/c1-17-5-4-12-18(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14) |
| InChI Key | MOXVVNKUFZYOEQ-UHFFFAOYSA-N |
| MDL Number | MFCD06348996 |
| Molecular Formula | C10H12BrNO5S |
| Molecular Weight | 338.175 |
| SMILES | COCCNS(C1=CC(C(O)=O)=C(Br)C=C1)(=O)=O |
| Synonyms | 2-bromo-5-[(2-methoxyethyl)sulfamoyl]benzoic acid,
784171-99-9,
AC1M2MHE,
2-bromo-5-(2-methoxyethylsulfamoyl)benzoic Acid,
ZINC2656166,
AKOS008961629,
MCULE-2950285822,
NE19141,
Z55437129,
CID2119855,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.172g/mol |
| Monoisotopic Mass | 336.962g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number