| CAS Number | 1432680-95-9 |
| Catalog Number | AG01A4V3 |
| Chemical Name | Benzenamine, 3-chloro-4-fluoro-N-methyl-, hydrochloride (1:1) |
| IUPAC Name | 3-chloro-4-fluoro-N-methylaniline;hydrochloride |
| InChI | InChI=1S/C7H7ClFN.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,10H,1H3;1H |
| InChI Key | STFFUJKEVFUSAP-UHFFFAOYSA-N |
| MDL Number | MFCD24369140 |
| Molecular Formula | C7H8Cl2FN |
| Molecular Weight | 196.0495 |
| SMILES | CNC1=CC=C(F)C(Cl)=C1.Cl |
| Synonyms | 3-chloro-4-fluoro-N-methylaniline hydrochloride,
1432680-95-9,
SCHEMBL18226389,
NE17112,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.046g/mol |
| Monoisotopic Mass | 195.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number