| CAS Number | 82082-51-7 |
| Catalog Number | AG00ID81(AGN-PC-0KJT5D) |
| Chemical Name | N-Benzyl-3-iodobenzamide |
| IUPAC Name | N-benzyl-3-iodobenzamide |
| InChI | InChI=1S/C14H12INO/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17) |
| InChI Key | MESMAUTYAQSYLK-UHFFFAOYSA-N |
| MDL Number | MFCD02859811 |
| Molecular Formula | C14H12INO |
| Molecular Weight | 337.1556 |
| SMILES | Ic1cccc(c1)C(=O)NCc1ccccc1 |
| Synonyms | N-benzyl-3-iodobenzamide,
82082-51-7,
AC1MBFCC,
SCHEMBL13392215,
ZINC3598345,
AKOS001136250,
Benzamide, 3-iodo-N-(phenylmethyl)-,
MCULE-8652554148,
3-iodo-N-(phenylmethyl)-benzamide,
ZINC03598345,
CID2704821,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.16g/mol |
| Monoisotopic Mass | 336.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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