| CAS Number | 952054-06-7 |
| Catalog Number | AG01DWWO |
| Chemical Name | 4-butyl-2-iodoaniline |
| IUPAC Name | 4-butyl-2-iodoaniline |
| InChI | InChI=1S/C10H14IN/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4,12H2,1H3 |
| InChI Key | DTKKJAFRZCQONF-UHFFFAOYSA-N |
| MDL Number | MFCD24160454 |
| Molecular Formula | C10H14IN |
| Molecular Weight | 275.1293 |
| SMILES | CCCCC1=CC(I)=C(N)C=C1 |
| Synonyms | 4-butyl-2-iodoaniline,
2-Iodo-4-butylaniline,
AKOS026730758,
952054-06-7,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.133g/mol |
| Monoisotopic Mass | 275.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number