| CAS Number | 81473-68-9 |
| Catalog Number | AG00ID6R |
| Chemical Name | 3-(4-Chloro-3-nitro-benzenesulfonylamino)-propionic acid |
| IUPAC Name | 3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C9H9ClN2O6S/c10-7-2-1-6(5-8(7)12(15)16)19(17,18)11-4-3-9(13)14/h1-2,5,11H,3-4H2,(H,13,14) |
| InChI Key | GGGMKFRZMMBWDB-UHFFFAOYSA-N |
| MDL Number | MFCD03968142 |
| Molecular Formula | C9H9ClN2O6S |
| Molecular Weight | 308.6956 |
| SMILES | OC(CCNS(C1=CC([N+]([O-])=O)=C(Cl)C=C1)(=O)=O)=O |
| Synonyms | 81473-68-9,
3-(4-Chloro-3-nitro-benzenesulfonylamino)-propionic acid,
3-(4-chloro-3-nitrobenzenesulfonamido)propanoic acid,
3-(4-Chloro-3-nitrophenylsulfonamido)propanoic acid,
AC1MVFX9,
AC1Q75OC,
CTK7J4411,
ZINC3886281,
MFCD03968142,
AKOS008940716,
MCULE-7060766995,
NE35600,
EN300-05192,
3-[(4-chloro-3-nitrobenzene)sulfonamido]propanoic acid,
3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoic acid,
CID3682634,
3-[(4-chloro-3-nitro-phenyl)sulfonylamino]propanoic Acid,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.689g/mol |
| Monoisotopic Mass | 307.987g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number