| CAS Number | 89581-41-9 |
| Catalog Number | AG00H4EU(AGN-PC-0JSAW1) |
| Chemical Name | 4-Bromo-2-nitrobenzenesulfonamide |
| IUPAC Name | 4-bromo-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H5BrN2O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,(H2,8,12,13) |
| InChI Key | RLOBLCKPLSPZIT-UHFFFAOYSA-N |
| MDL Number | MFCD11650740 |
| Molecular Formula | C6H5BrN2O4S |
| Molecular Weight | 281.0839 |
| SMILES | NS(C1=C([N+]([O-])=O)C=C(Br)C=C1)(=O)=O |
| Synonyms | 4-bromo-2-nitrobenzenesulfonamide,
89581-41-9,
2-Nitro-4-bromo-benzene-sulfonamide,
AC1LAXKA,
SCHEMBL5303668,
2-Nitro-4-bromobenzenesulfonamide,
ZINC32156394,
AKOS009386327,
FT-0766753,
CID522924,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.08g/mol |
| Monoisotopic Mass | 279.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number