| CAS Number | 396733-71-4 |
| Catalog Number | AG00VU6F(AGN-PC-01P6S6) |
| Chemical Name | 3-(dimethylcarbamoyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(dimethylcarbamoyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C9H10ClNO3S/c1-11(2)9(12)7-4-3-5-8(6-7)15(10,13)14/h3-6H,1-2H3 |
| InChI Key | BIAIGUIFZWVGJW-UHFFFAOYSA-N |
| MDL Number | MFCD09812754 |
| Molecular Formula | C9H10ClNO3S |
| Molecular Weight | 247.6986 |
| SMILES | CN(C(=O)C=1C=C(C=CC1)S(=O)(=O)Cl)C |
| Synonyms | 3-(dimethylcarbamoyl)benzene-1-sulfonyl chloride,
396733-71-4,
3-(Dimethylcarbamoyl)benzenesulfonyl chloride,
3-[(dimethylamino)carbonyl]benzenesulfonyl chloride,
AC1Q3VXO,
SCHEMBL2822445,
CTK6H9032,
BIAIGUIFZWVGJW-UHFFFAOYSA-N,
MFCD09812754,
AKOS000164859,
ZINC100574733,
MCULE-3332236548,
NE14503,
BS-14004,
EN300-39737,
Z1868057801,
3-(dimethylcarbamoyl)benzene-1-sulfonyl chloride, AldrichCPR,
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| Complexity | 334 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.693g/mol |
| Monoisotopic Mass | 247.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number