| CAS Number | 1090344-11-8 |
| Catalog Number | AG00HBA3 |
| Chemical Name | 2,3-dichloro-N-ethylbenzamide |
| IUPAC Name | 2,3-dichloro-N-ethylbenzamide |
| InChI | InChI=1S/C9H9Cl2NO/c1-2-12-9(13)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | XLIWICYILPTDAW-UHFFFAOYSA-N |
| MDL Number | MFCD10646088 |
| Molecular Formula | C9H9Cl2NO |
| Molecular Weight | 218.0799 |
| SMILES | CCNC(=O)c1cccc(c1Cl)Cl |
| Synonyms | 2,3-dichloro-N-ethylbenzamide,
1090344-11-8,
SCHEMBL4158170,
AKOS008931666,
MCULE-1233133207,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.077g/mol |
| Monoisotopic Mass | 217.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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