| CAS Number | 862604-22-6 |
| Catalog Number | AG00H1OB(AGN-PC-0LTBAS) |
| Chemical Name | 2-fluoro-N-[(2-fluorophenyl)methyl]aniline |
| IUPAC Name | 2-fluoro-N-[(2-fluorophenyl)methyl]aniline |
| InChI | InChI=1S/C13H11F2N/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8,16H,9H2 |
| InChI Key | CWMKYGHYSDRCQH-UHFFFAOYSA-N |
| MDL Number | MFCD11145361 |
| Molecular Formula | C13H11F2N |
| Molecular Weight | 219.2299 |
| SMILES | FC1=C(CNC2=C(F)C=CC=C2)C=CC=C1 |
| Synonyms | 2-fluoro-N-[(2-fluorophenyl)methyl]aniline,
862604-22-6,
2-Fluorobenzylamine, N-(2-fluorophenyl)-,
AC1O4Y12,
AC1Q4L87,
CWMKYGHYSDRCQH-UHFFFAOYSA-N,
2-Fluoro-N-(2-fluorobenzyl)aniline,
MFCD11145361,
ZINC19944735,
AKOS000239261,
MCULE-6594128122,
NE32055,
2-Fluoro-N-(2-fluorobenzyl)aniline, 97%,
EN300-70416,
CID6422137,
|
| Complexity | 210 |
| 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