| CAS Number | 333349-52-3 |
| Catalog Number | AG00I6IO(AGN-PC-0WOHZW) |
| Chemical Name | 2-iodo-N-propylbenzamide |
| IUPAC Name | 2-iodo-N-propylbenzamide |
| InChI | InChI=1S/C10H12INO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13) |
| InChI Key | LKHDFYFCROINHM-UHFFFAOYSA-N |
| MDL Number | MFCD01216256 |
| Molecular Formula | C10H12INO |
| Molecular Weight | 289.1129 |
| SMILES | CCCNC(=O)c1ccccc1I |
| Synonyms | 2-iodo-N-propylbenzamide,
333349-52-3,
2-Iodo-n-propyl-benzamide,
AC1LDBYU,
BAS 00784783,
2-iodo-N~1~-propylbenzamide,
LKHDFYFCROINHM-UHFFFAOYSA-N,
(2-iodophenyl)-N-propylcarboxamide,
ZINC4156592,
STK087766,
AKOS000436853,
MCULE-3895450969,
ST50300774,
SR-01000310612,
SR-01000310612-1,
CID615769,
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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 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number