| CAS Number | 1094563-49-1 |
| Catalog Number | AG007T1U(AGN-PC-06IFS1) |
| Chemical Name | N-Ethyl 4-bromo-3-methylbenzenesulfonamide |
| IUPAC Name | 4-bromo-N-ethyl-3-methylbenzenesulfonamide |
| InChI | InChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3 |
| InChI Key | JIGXMQLKBPEGMI-UHFFFAOYSA-N |
| MDL Number | MFCD11618328 |
| Molecular Formula | C9H12BrNO2S |
| Molecular Weight | 278.1661 |
| SMILES | O=S(C1=CC=C(Br)C(C)=C1)(NCC)=O |
| Synonyms | 1094563-49-1,
N-ETHYL 4-BROMO-3-METHYLBENZENESULFONAMIDE,
4-bromo-N-ethyl-3-methylbenzene-1-sulfonamide,
4-bromo-N-ethyl-3-methylbenzenesulfonamide,
AC1Q31MB,
SCHEMBL16492321,
CTK4A6518,
DTXSID80655719,
MFCD11618328,
ZINC37022067,
AKOS008940627,
MCULE-7961564752,
NE18359,
TR-034012,
EN300-67350,
Z45528409,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.164g/mol |
| Monoisotopic Mass | 276.977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number