| CAS Number | 113738-22-0 |
| Catalog Number | AG01DYFO(AGN-PC-0P5AL4) |
| Chemical Name | 1-[(2-azidoethoxy)sulfonyl]-4-methylbenzene |
| IUPAC Name | 2-azidoethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C9H11N3O3S/c1-8-2-4-9(5-3-8)16(13,14)15-7-6-11-12-10/h2-5H,6-7H2,1H3 |
| InChI Key | AWBYNTHBIFCMFC-UHFFFAOYSA-N |
| MDL Number | MFCD25955766 |
| Molecular Formula | C9H11N3O3S |
| Molecular Weight | 241.2669 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN=[N+]=[N-] |
| Synonyms | 2-azidoethyl-4-toluenesulfonate,
2-azidoethyl-4-toluenesulfonic acid,
1-[(2-azidoethoxy)sulfonyl]-4-methylbenzene,
Toluene-4-sulfonic acid 2-azido-ethyl ester,
113738-22-0,
2-azidoethyl-4-toluenesulfonate,
2-Azidoethyl p-toluenesulphonate,
SCHEMBL13456779,
AWBYNTHBIFCMFC-UHFFFAOYSA-N,
2-azidoethyl 4-methylbenzenesulfonate,
ZINC34519774,
2-Azidoethyl-4-methylbenzenesulfonate,
A376,
p-Toluenesulfonic acid 2-azidoethyl ester,
11338-22-0,
CID11379486,
1-(2-azidoethoxysulfonyl)-4-methyl-benzene,
1-[(3-azidopropane)sulfonyl]-4-methylbenzene,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.265g/mol |
| Monoisotopic Mass | 241.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number