| CAS Number | 418785-68-9 |
| Catalog Number | AG019LW2 |
| Chemical Name | 4-Fluoro-N-(furan-2-ylmethyl)-2-methylaniline |
| IUPAC Name | 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline |
| InChI | InChI=1S/C12H12FNO/c1-9-7-10(13)4-5-12(9)14-8-11-3-2-6-15-11/h2-7,14H,8H2,1H3 |
| InChI Key | MAYDRJROPUTKBT-UHFFFAOYSA-N |
| MDL Number | MFCD01135302 |
| Molecular Formula | C12H12FNO |
| Molecular Weight | 205.2282 |
| SMILES | CC1=C(C=CC(=C1)F)NCC2=CC=CO2 |
| Synonyms | 4-fluoro-N-(furan-2-ylmethyl)-2-methylaniline,
418785-68-9,
AC1MEC2J,
AC1Q2G4B,
Oprea1_233733,
ZINC758863,
AKOS000242505,
MCULE-3514187824,
NE26629,
EN300-33000,
4-fluoro-N-[(furan-2-yl)methyl]-2-methylaniline,
SR-01000213369,
SR-01000213369-1,
Z636222772,
ZINC00758863,
CID2852805,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.232g/mol |
| Monoisotopic Mass | 205.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number