| CAS Number | 416862-39-0 |
| Catalog Number | AG019LVC(AGN-PC-0WOT6V) |
| Chemical Name | 3-fluoro-N-(furan-2-ylmethyl)aniline |
| IUPAC Name | 3-fluoro-N-(furan-2-ylmethyl)aniline |
| InChI | InChI=1S/C11H10FNO/c12-9-3-1-4-10(7-9)13-8-11-5-2-6-14-11/h1-7,13H,8H2 |
| InChI Key | JEBSIDAHOLYUIG-UHFFFAOYSA-N |
| MDL Number | MFCD01308205 |
| Molecular Formula | C11H10FNO |
| Molecular Weight | 191.2016 |
| SMILES | FC1=CC(NCC2=CC=CO2)=CC=C1 |
| Synonyms | 3-fluoro-N-(furan-2-ylmethyl)aniline,
N-(3-fluorophenyl)-N-(2-furylmethyl)amine,
416862-39-0,
AC1Q4LTP,
Cambridge id 5458593,
Oprea1_862798,
CTK7C2021,
ZINC19920592,
AKOS000235316,
MCULE-6638721189,
NE53374,
3-fluoro-N-[(furan-2-yl)methyl]aniline,
EN300-32895,
Z636406392,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.205g/mol |
| Monoisotopic Mass | 191.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number