| CAS Number | 680618-02-4 |
| Catalog Number | AG006G3D(AGN-PC-09RQS0) |
| Chemical Name | 5-[(4-cyanobenzene)amido]-2-ethoxybenzenesulfonyl chloride |
| IUPAC Name | 5-[(4-cyanobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C16H13ClN2O4S/c1-2-23-14-8-7-13(9-15(14)24(17,21)22)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2H2,1H3,(H,19,20) |
| InChI Key | HTEWIFIYUSISGY-UHFFFAOYSA-N |
| MDL Number | MFCD03424962 |
| Molecular Formula | C16H13ClN2O4S |
| Molecular Weight | 364.8034 |
| SMILES | CCOc1ccc(cc1S(=O)(=O)Cl)NC(=O)c1ccc(cc1)C#N |
| Synonyms | 680618-02-4,
5-(4-Cyanobenzamido)-2-ethoxybenzene-1-sulfonyl chloride,
5-(4-CYANO-BENZOYLAMINO)-2-ETHOXY-BENZENESULFONYL CHLORIDE,
5-(4-cyanobenzamido)-2-ethoxybenzenesulfonyl chloride,
CTK5C7251,
DTXSID50695743,
5715AH,
AB1356,
MFCD03424962,
AKOS024260589,
ZINC100173716,
AX8026098,
A-7625,
5-(4-Cyanobenzoylamino)-2-ethoxy-benzenesulfonyl chloride,
5-[(4-cyanobenzene)amido]-2-ethoxybenzenesulfonyl chloride,
C16H13ClN2O4S,
5-(4-Cyanobenzoylamino)-2-ethoxybenzenesulfonylchloride,
|
| Complexity | 587 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.8g/mol |
| Monoisotopic Mass | 364.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
8
|
|
Hazard statements
|
H302-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number