| CAS Number | 381236-67-5 |
| Catalog Number | AG01A3EF(AGN-PC-03UG8Q) |
| Chemical Name | [(4-Chloro-3-fluorophenyl)methyl](methyl)amine |
| IUPAC Name | 1-(4-chloro-3-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9ClFN/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3 |
| InChI Key | DCICNBYWFPDIAE-UHFFFAOYSA-N |
| MDL Number | MFCD13249675 |
| Molecular Formula | C8H9ClFN |
| Molecular Weight | 173.6152 |
| SMILES | CNCC1=CC=C(Cl)C(F)=C1 |
| Synonyms | [(4-chloro-3-fluorophenyl)methyl](methyl)amine,
381236-67-5,
SCHEMBL6418359,
ZINC43388166,
AKOS010913935,
NE30483,
1-(4-chloro-3-fluorophenyl)-N-methylmethanamine,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.615g/mol |
| Monoisotopic Mass | 173.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number