| CAS Number | 790271-07-7 |
| Catalog Number | AG019K2A(AGN-PC-0KHG01) |
| Chemical Name | 2-Bromo-5-[(prop-2-en-1-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-bromo-5-(prop-2-enylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H10BrNO4S/c1-2-5-12-17(15,16)7-3-4-9(11)8(6-7)10(13)14/h2-4,6,12H,1,5H2,(H,13,14) |
| InChI Key | NFQJOLXYVCEMTK-UHFFFAOYSA-N |
| MDL Number | MFCD06357873 |
| Molecular Formula | C10H10BrNO4S |
| Molecular Weight | 320.1597 |
| SMILES | OC(C1=C(Br)C=CC(S(NCC=C)(=O)=O)=C1)=O |
| Synonyms | 2-bromo-5-[(prop-2-en-1-yl)sulfamoyl]benzoic acid,
790271-07-7,
5-[(allylamino)sulfonyl]-2-bromobenzoic acid,
EN300-11025,
2-bromo-5-(prop-2-enylsulfamoyl)benzoic Acid,
AC1M8G6B,
AC1Q72UN,
CTK5J4948,
ZINC3394191,
AKOS008959277,
MCULE-6324346024,
NE52680,
BC4122523,
SR-01000058754,
SR-01000058754-1,
Z53038729,
CID2512634,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.157g/mol |
| Monoisotopic Mass | 318.951g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number