| CAS Number | 1096852-39-9 |
| Catalog Number | AG01AJ5R |
| Chemical Name | N-[(2,5-difluorophenyl)methyl]aniline |
| IUPAC Name | N-[(2,5-difluorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H11F2N/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h1-8,16H,9H2 |
| InChI Key | DPYKIPWWUAZAST-UHFFFAOYSA-N |
| MDL Number | MFCD11639633 |
| Molecular Formula | C13H11F2N |
| Molecular Weight | 219.2299 |
| SMILES | FC1=CC(CNC2=CC=CC=C2)=C(F)C=C1 |
| Synonyms | N-[(2,5-difluorophenyl)methyl]aniline,
1096852-39-9,
ZINC37228227,
AKOS009461760,
MCULE-2619129345,
NE40027,
EN300-79847,
Z1269638452,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.235g/mol |
| Monoisotopic Mass | 219.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number