| CAS Number | 1480520-42-0 |
| Catalog Number | AG01B9C5 |
| Chemical Name | tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate |
| IUPAC Name | tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate |
| InChI | InChI=1S/C12H16FNO3/c1-12(2,3)17-11(15)14-8-5-6-10(16-4)9(13)7-8/h5-7H,1-4H3,(H,14,15) |
| InChI Key | CHFRWBHFHMPCNP-UHFFFAOYSA-N |
| MDL Number | MFCD21170307 |
| Molecular Formula | C12H16FNO3 |
| Molecular Weight | 241.2587 |
| SMILES | COC1=C(F)C=C(NC(OC(C)(C)C)=O)C=C1 |
| Synonyms | tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate,
1480520-42-0,
ZINC83502153,
AKOS014476503,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.262g/mol |
| Monoisotopic Mass | 241.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number