| CAS Number | 113948-06-4 |
| Catalog Number | AG00HCRA(AGN-PC-0KTWUV) |
| Chemical Name | N-ethyl-3-iodobenzamide |
| IUPAC Name | N-ethyl-3-iodobenzamide |
| InChI | InChI=1S/C9H10INO/c1-2-11-9(12)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3,(H,11,12) |
| InChI Key | DLJHACZHZRBDJF-UHFFFAOYSA-N |
| MDL Number | MFCD02859820 |
| Molecular Formula | C9H10INO |
| Molecular Weight | 275.0863 |
| SMILES | CCNC(=O)c1cccc(c1)I |
| Synonyms | N-ethyl-3-iodobenzamide,
113948-06-4,
AC1MPDVN,
Benzamide, N-ethyl-3-iodo-,
SCHEMBL13381540,
ZINC6891517,
AKOS008920012,
N-ethyl-3-iodo-benzamide,
CID3409621,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.089g/mol |
| Monoisotopic Mass | 274.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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