| CAS Number | 893639-39-9 |
| Catalog Number | AG01A9KP |
| Chemical Name | 4-(3-Chlorophenyl)-2-methylaniline |
| IUPAC Name | 4-(3-chlorophenyl)-2-methylaniline |
| InChI | InChI=1S/C13H12ClN/c1-9-7-11(5-6-13(9)15)10-3-2-4-12(14)8-10/h2-8H,15H2,1H3 |
| InChI Key | KWZLGXBMZDGQKK-UHFFFAOYSA-N |
| MDL Number | MFCD08701585 |
| Molecular Formula | C13H12ClN |
| Molecular Weight | 217.6941 |
| SMILES | CC1=C(N)C=CC(C2=CC(Cl)=CC=C2)=C1 |
| Synonyms | 4-(3-chlorophenyl)-2-methylaniline,
893639-39-9,
AC1Q2FKE,
ZINC26544303,
AKOS004117190,
MCULE-3974100016,
NE28532,
EN300-65350,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.696g/mol |
| Monoisotopic Mass | 217.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number