| CAS Number | 1344362-77-1 |
| Catalog Number | AG01A2GK |
| Chemical Name | ethyl 3-bromo-5-sulfamoylbenzoate |
| IUPAC Name | ethyl 3-bromo-5-sulfamoylbenzoate |
| InChI | InChI=1S/C9H10BrNO4S/c1-2-15-9(12)6-3-7(10)5-8(4-6)16(11,13)14/h3-5H,2H2,1H3,(H2,11,13,14) |
| InChI Key | ATIAFQXCJHCQIQ-UHFFFAOYSA-N |
| MDL Number | MFCD18205716 |
| Molecular Formula | C9H10BrNO4S |
| Molecular Weight | 308.1490 |
| SMILES | CCOC(C1=CC(S(N)(=O)=O)=CC(Br)=C1)=O |
| Synonyms | ethyl 3-bromo-5-sulfamoylbenzoate,
1344362-77-1,
ZINC82634837,
AKOS013152105,
NE43668,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.146g/mol |
| Monoisotopic Mass | 306.951g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number