| CAS Number | 911297-02-4 |
| Catalog Number | AG00IGI0(AGN-PC-0WGGLW) |
| Chemical Name | 4-(Boc-amino)-3-fluorophenol |
| IUPAC Name | tert-butyl N-(2-fluoro-4-hydroxyphenyl)carbamate |
| InChI | InChI=1S/C11H14FNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h4-6,14H,1-3H3,(H,13,15) |
| InChI Key | OFMBTCUVYCQPQI-UHFFFAOYSA-N |
| MDL Number | MFCD19382482 |
| Molecular Formula | C11H14FNO3 |
| Molecular Weight | 227.2322 |
| SMILES | O=C(OC(C)(C)C)NC1=CC=C(O)C=C1F |
| Synonyms | 4-(BOC-AMINO)-3-FLUORO-PHENOL,
911297-02-4,
SCHEMBL2363945,
OFMBTCUVYCQPQI-UHFFFAOYSA-N,
MFCD19382482,
ZINC66055057,
AKOS014124186,
AK183859,
DS-10014,
Tert-butyl 2-fluoro-4-hydroxyphenylcarbamate,
tert-butyl N-(2-fluoro-4-hydroxy-phenyl)carbamate,
tert-butyl N-(2-fluoro-4-hydroxyphenyl)carbamate,
N-(2-fluoro-4-hydroxyphenyl)carbamic acid tert-butyl ester,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.235g/mol |
| Monoisotopic Mass | 227.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number