| CAS Number | 1352244-85-9 |
| Catalog Number | AG00HTYI(AGN-PC-0WQWLP) |
| Chemical Name | N-(4-bromo-2-nitrophenyl)methanesulfonamide |
| IUPAC Name | N-(4-bromo-2-nitrophenyl)methanesulfonamide |
| InChI | InChI=1S/C7H7BrN2O4S/c1-15(13,14)9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,1H3 |
| InChI Key | QIWORFNZDQMCIA-UHFFFAOYSA-N |
| MDL Number | MFCD21416169 |
| Molecular Formula | C7H7BrN2O4S |
| Molecular Weight | 295.1105 |
| SMILES | Brc1ccc(c(c1)[N+](=O)[O-])NS(=O)(=O)C |
| Synonyms | N-(4-bromo-2-nitrophenyl)methanesulfonamide,
1352244-85-9,
SCHEMBL12491626,
QIWORFNZDQMCIA-UHFFFAOYSA-N,
ZINC81570681,
AKOS013910192,
N-(4-Bromo-2-nitro-phenyl)-methanesulfonamide,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.107g/mol |
| Monoisotopic Mass | 293.931g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number