| CAS Number | 7139-88-0 |
| Catalog Number | AG0068OA(AGN-PC-00K07M) |
| Chemical Name | 4-(propionylamino)benzenesulfonyl chloride |
| IUPAC Name | 4-(propanoylamino)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H10ClNO3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12) |
| InChI Key | GLVXFKWVEJWTEB-UHFFFAOYSA-N |
| MDL Number | MFCD08457411 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | S(Cl)(=O)(=O)C1=CC=C(C=C1)NC(CC)=O |
| Synonyms | 7139-88-0,
4-propanamidobenzene-1-sulfonyl chloride,
4-(PROPIONYLAMINO)BENZENESULFONYL CHLORIDE,
Benzenesulfonyl chloride, 4-[(1-oxopropyl)amino]-,
AC1Q2RSQ,
SCHEMBL1102000,
CTK2H3732,
DTXSID40512556,
ALBB-020888,
8589AE,
MFCD08457411,
AKOS000150448,
ZINC100066149,
4-Propionamidobenzene-1-sulfonyl chloride,
EN300-60505,
Y-3923,
C9H10ClNO3S,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.693g/mol |
| Monoisotopic Mass | 247.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number