| CAS Number | 885681-65-2 |
| Catalog Number | AG019TKU(AGN-PC-0LTUQY) |
| Chemical Name | N-[(3-bromophenyl)methyl]methanesulfonamide |
| IUPAC Name | N-[(3-bromophenyl)methyl]methanesulfonamide |
| InChI | InChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 |
| InChI Key | WWJKDFBCAXJDCX-UHFFFAOYSA-N |
| MDL Number | MFCD07031414 |
| Molecular Formula | C8H10BrNO2S |
| Molecular Weight | 264.1395 |
| SMILES | CS(NCC1=CC(Br)=CC=C1)(=O)=O |
| Synonyms | N-[(3-bromophenyl)methyl]methanesulfonamide,
885681-65-2,
N-(3-bromobenzyl)methanesulfonamide,
AC1O5VSD,
SCHEMBL1679258,
WWJKDFBCAXJDCX-UHFFFAOYSA-N,
ZINC6698361,
STK479622,
AKOS003365945,
MCULE-2953907225,
NE23504,
[(3-bromophenyl)methyl](methylsulfonyl)amine,
ST50899783,
CID6464358,
Methanesulfonamide, N-[(3-bromophenyl)methyl]-,
|
| Complexity | 247 |
| 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 | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number