| CAS Number | 850040-16-3 |
| Catalog Number | AG00GLW3(AGN-PC-03HHLP) |
| Chemical Name | 4-(tert-butyl)-3-fluoroaniline |
| IUPAC Name | 4-tert-butyl-3-fluoroaniline |
| InChI | InChI=1S/C10H14FN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h4-6H,12H2,1-3H3 |
| InChI Key | RJGMZDLOXKYIPE-UHFFFAOYSA-N |
| MDL Number | MFCD20703173 |
| Molecular Formula | C10H14FN |
| Molecular Weight | 167.2233 |
| SMILES | CC(C)(C)C1=C(C=C(C=C1)N)F |
| Synonyms | 4-(tert-butyl)-3-fluoroaniline,
4-tert-butyl-3-fluoroaniline,
850040-16-3,
4-tert-butyl-3-fluoro-aniline,
SCHEMBL2570700,
RJGMZDLOXKYIPE-UHFFFAOYSA-N,
ZINC138718385,
SC-91866,
A1-10861,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.227g/mol |
| Monoisotopic Mass | 167.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number