| CAS Number | 117401-79-3 |
| Catalog Number | AG019V4S(AGN-PC-003OOO) |
| Chemical Name | 3-[(2,2,3,3-Tetrafluoropropoxy)methyl]aniline |
| IUPAC Name | 3-(2,2,3,3-tetrafluoropropoxymethyl)aniline |
| InChI | InChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-2-1-3-8(15)4-7/h1-4,9H,5-6,15H2 |
| InChI Key | PLMQEDVNCVIZTM-UHFFFAOYSA-N |
| MDL Number | MFCD10690010 |
| Molecular Formula | C10H11F4NO |
| Molecular Weight | 237.1941 |
| SMILES | NC1=CC(COCC(C(F)F)(F)F)=CC=C1 |
| Synonyms | 3-[(2,2,3,3-tetrafluoropropoxy)methyl]aniline,
117401-79-3,
AC1Q51O0,
CTK7D9023,
ZINC32625249,
AKOS005202538,
MCULE-4947668770,
NE45554,
NCGC00328969-01,
EN300-43731,
AB01322740-02,
Z234894907,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.198g/mol |
| Monoisotopic Mass | 237.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number