| CAS Number | 847758-97-8 |
| Catalog Number | AG019OC3 |
| Chemical Name | 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C9H10BrNO5S/c1-11(16-2)17(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13) |
| InChI Key | YEPNMMVGWMRNLD-UHFFFAOYSA-N |
| MDL Number | MFCD06655894 |
| Molecular Formula | C9H10BrNO5S |
| Molecular Weight | 324.1484 |
| SMILES | CON(S(C1=CC(C(O)=O)=C(Br)C=C1)(=O)=O)C |
| Synonyms | 2-bromo-5-[methoxy(methyl)sulfamoyl]benzoic acid,
847758-97-8,
2-bromo-5-{[methoxy(methyl)amino]sulfonyl}benzoic acid,
AC1NLQOO,
AC1Q4GE5,
CTK7B4193,
ZINC4206656,
AKOS009000019,
MCULE-3781279867,
NE54662,
EN300-13501,
SR-01000071306,
SR-01000071306-1,
Z89357835,
CID4962471,
2-bromo-5-(methoxy-methyl-sulfamoyl)benzoic Acid,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.145g/mol |
| Monoisotopic Mass | 322.946g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number