| CAS Number | 1235441-12-9 |
| Catalog Number | AG01A8KT |
| Chemical Name | 2,5-difluoro-N-methylaniline hydrochloride |
| IUPAC Name | 2,5-difluoro-N-methylaniline;hydrochloride |
| InChI | InChI=1S/C7H7F2N.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4,10H,1H3;1H |
| InChI Key | DCNLJRUBOFXMFP-UHFFFAOYSA-N |
| MDL Number | MFCD16040099 |
| Molecular Formula | C7H8ClF2N |
| Molecular Weight | 179.5949 |
| SMILES | Cl.CNC1=C(F)C=CC(F)=C1 |
| Synonyms | 2,5-difluoro-N-methylaniline hydrochloride,
1235441-12-9,
AC1Q3BPT,
MCULE-6143370471,
NE27859,
EN300-61863,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.595g/mol |
| Monoisotopic Mass | 179.031g/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