| CAS Number | 1019599-93-9 |
| Catalog Number | AG01AGVR |
| Chemical Name | 4-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline |
| IUPAC Name | 4-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline |
| InChI | InChI=1S/C12H12FNO/c1-9-2-7-12(15-9)8-14-11-5-3-10(13)4-6-11/h2-7,14H,8H2,1H3 |
| InChI Key | INJSLIRTUSRGQW-UHFFFAOYSA-N |
| MDL Number | MFCD11145039 |
| Molecular Formula | C12H12FNO |
| Molecular Weight | 205.2282 |
| SMILES | CC1OC(CNC2=CC=C(F)C=C2)=CC=1 |
| Synonyms | 4-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline,
1019599-93-9,
AC1Q2M18,
ZINC19942007,
AKOS000240478,
MCULE-7725331806,
NE27540,
EN300-73005,
Z234898217,
|
| Complexity | 192 |
| 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