| CAS Number | 116598-91-5 |
| Catalog Number | AG01C831 |
| Chemical Name | N-(3-bromo-4-methylphenyl)methanesulfonamide |
| IUPAC Name | N-(3-bromo-4-methylphenyl)methanesulfonamide |
| InChI | InChI=1S/C8H10BrNO2S/c1-6-3-4-7(5-8(6)9)10-13(2,11)12/h3-5,10H,1-2H3 |
| InChI Key | GGOSTSKNTABTPL-UHFFFAOYSA-N |
| MDL Number | MFCD18263184 |
| Molecular Formula | C8H10BrNO2S |
| Molecular Weight | 264.1395 |
| SMILES | CC1=C(Br)C=C(NS(C)(=O)=O)C=C1 |
| Synonyms | N-(3-bromo-4-methylphenyl)methanesulfonamide,
116598-91-5,
SCHEMBL1370637,
GGOSTSKNTABTPL-UHFFFAOYSA-N,
ZINC70225640,
AKOS009160441,
DA-15122,
FT-0709429,
n-(3-bromo-4-methyl-phenyl)-methanesulfonamide,
Methanesulfonamide, N-(3-bromo-4-methylphenyl)-,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.137g/mol |
| Monoisotopic Mass | 262.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number