| CAS Number | 1820687-33-9 |
| Catalog Number | AG00I0VG |
| Chemical Name | 3-(Methanesulfonylmethyl)benzamide |
| IUPAC Name | 3-(methylsulfonylmethyl)benzamide |
| InChI | InChI=1S/C9H11NO3S/c1-14(12,13)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H2,10,11) |
| InChI Key | OEFQJMYUKMEXRN-UHFFFAOYSA-N |
| MDL Number | MFCD28127190 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | NC(=O)c1cccc(c1)CS(=O)(=O)C |
| Synonyms | 3-(METHANESULFONYLMETHYL)BENZAMIDE,
3-((Methylsulfonyl)methyl)benzamide,
1820687-33-9,
ZINC47837260,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number