| CAS Number | 91506-06-8 |
| Catalog Number | AG00H4X3(AGN-PC-0C9PBG) |
| Chemical Name | 3-Iodo-N,N-dimethylbenzamide |
| IUPAC Name | 3-iodo-N,N-dimethylbenzamide |
| InChI | InChI=1S/C9H10INO/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,1-2H3 |
| InChI Key | XSLDOPYONMGECY-UHFFFAOYSA-N |
| MDL Number | MFCD02859819 |
| Molecular Formula | C9H10INO |
| Molecular Weight | 275.0863 |
| SMILES | O=C(N(C)C)C1=CC=CC(I)=C1 |
| Synonyms | 3-iodo-N,N-dimethylbenzamide,
91506-06-8,
AC1MPDVK,
N,N-Dimethyl-3-iodobenzamide,
SCHEMBL2086375,
XSLDOPYONMGECY-UHFFFAOYSA-N,
Benzamide, 3-iodo-N,N-dimethyl-,
ZINC33026287,
AKOS003635184,
MCULE-2950176027,
FT-0765726,
3-iodo-N,N-dimethyl-benzamide,
CID3409620,
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| Complexity | 170 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.089g/mol |
| Monoisotopic Mass | 274.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number