| CAS Number | 349117-88-0 |
| Catalog Number | AG00I6WM(AGN-PC-0KTWJP) |
| Chemical Name | 3-iodo-N-propylbenzamide |
| IUPAC Name | 3-iodo-N-propylbenzamide |
| InChI | InChI=1S/C10H12INO/c1-2-6-12-10(13)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H,12,13) |
| InChI Key | RUOVLGURVMUCPS-UHFFFAOYSA-N |
| MDL Number | MFCD02859800 |
| Molecular Formula | C10H12INO |
| Molecular Weight | 289.1128 |
| SMILES | CCCNC(=O)c1cccc(c1)I |
| Synonyms | 3-iodo-N-propylbenzamide,
349117-88-0,
AC1MPCQ6,
N-n-propyl-3-iodobenzamide,
Benzamide, 3-iodo-N-propyl-,
SCHEMBL1927576,
RUOVLGURVMUCPS-UHFFFAOYSA-N,
ZINC5591232,
AKOS008914748,
3-iodo-N-propyl-benzamide,
CID3409108,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.116g/mol |
| Monoisotopic Mass | 288.996g/mol |
| Rotatable Bond Count | 3 |
| 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
Lot Number