| CAS Number | 356531-97-0 |
| Catalog Number | AG01A23C |
| Chemical Name | N-[(2-chlorophenyl)methyl]-4-fluoroaniline |
| IUPAC Name | N-[(2-chlorophenyl)methyl]-4-fluoroaniline |
| InChI | InChI=1S/C13H11ClFN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2 |
| InChI Key | DYLHNBFNWGXIQQ-UHFFFAOYSA-N |
| MDL Number | MFCD03210821 |
| Molecular Formula | C13H11ClFN |
| Molecular Weight | 235.6845 |
| SMILES | FC1=CC=C(NCC2=C(Cl)C=CC=C2)C=C1 |
| Synonyms | N-[(2-chlorophenyl)methyl]-4-fluoroaniline,
356531-97-0,
Oprea1_832133,
ZINC19941951,
AKOS000240615,
MCULE-2788317333,
NE31259,
Z57819822,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.686g/mol |
| Monoisotopic Mass | 235.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number