| CAS Number | 1373232-65-5 |
| Catalog Number | AG009X6V(AGN-PC-0WA7XP) |
| Chemical Name | 3-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline, HCl |
| IUPAC Name | 3-[4-fluoro-3-(trifluoromethyl)phenyl]aniline;hydrochloride |
| InChI | InChI=1S/C13H9F4N.ClH/c14-12-5-4-9(7-11(12)13(15,16)17)8-2-1-3-10(18)6-8;/h1-7H,18H2;1H |
| InChI Key | XKWXAYVIPJOYBB-UHFFFAOYSA-N |
| MDL Number | MFCD22192480 |
| Molecular Formula | C13H10ClF4N |
| Molecular Weight | 291.6718 |
| SMILES | Nc1cccc(c1)c1ccc(c(c1)C(F)(F)F)F.Cl |
| Synonyms | 1373232-65-5,
3-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline, HCl,
3-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline HCl,
3-[4-Fluoro-3-(trifluoromethyl)phenyl]aniline hydrochloride,
MFCD22192480,
V2691,
B-8633,
C13H10ClF4N,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.674g/mol |
| Monoisotopic Mass | 291.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number