| CAS Number | 1369809-48-2 |
| Catalog Number | AG01ABV4 |
| Chemical Name | 3-Fluoro-4-isopropylaniline |
| IUPAC Name | 3-fluoro-4-propan-2-ylaniline |
| InChI | InChI=1S/C9H12FN/c1-6(2)8-4-3-7(11)5-9(8)10/h3-6H,11H2,1-2H3 |
| InChI Key | GPKLGLANZUPGLT-UHFFFAOYSA-N |
| MDL Number | MFCD21234657 |
| Molecular Formula | C9H12FN |
| Molecular Weight | 153.1967 |
| SMILES | FC=1C=C(N)C=CC1C(C)C |
| Synonyms | 3-fluoro-4-(propan-2-yl)aniline,
1369809-48-2,
SCHEMBL12303942,
ZINC83825200,
AKOS014777307,
NE35200,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.2g/mol |
| Monoisotopic Mass | 153.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number