| CAS Number | 1039858-71-3 |
| Catalog Number | AG01AH42 |
| Chemical Name | N-(2-Aminoethyl)-2,5-dibromobenzene-1-sulfonamide |
| IUPAC Name | N-(2-aminoethyl)-2,5-dibromobenzenesulfonamide |
| InChI | InChI=1S/C8H10Br2N2O2S/c9-6-1-2-7(10)8(5-6)15(13,14)12-4-3-11/h1-2,5,12H,3-4,11H2 |
| InChI Key | AXQBKFCJWIZQLY-UHFFFAOYSA-N |
| MDL Number | MFCD11189705 |
| Molecular Formula | C8H10Br2N2O2S |
| Molecular Weight | 358.0502 |
| SMILES | NCCNS(C1=C(Br)C=CC(Br)=C1)(=O)=O |
| Synonyms | N-(2-aminoethyl)-2,5-dibromobenzene-1-sulfonamide,
1039858-71-3,
ZINC20432573,
AKOS009253550,
MCULE-1818259468,
NE33066,
EN300-73633,
Z1266854975,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.881g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.048g/mol |
| Monoisotopic Mass | 355.883g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number