| CAS Number | 1310680-49-9 |
| Catalog Number | AG00HSD2(AGN-PC-0WBOJ4) |
| Chemical Name | Fmoc-3-amino-2,2-difluoro-propionic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-difluoropropanoic acid |
| InChI | InChI=1S/C18H15F2NO4/c19-18(20,16(22)23)10-21-17(24)25-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,21,24)(H,22,23) |
| InChI Key | HOZFQTTWTYZFHA-UHFFFAOYSA-N |
| MDL Number | MFCD12408090 |
| Molecular Formula | C18H15F2NO4 |
| Molecular Weight | 347.3128 |
| SMILES | OC(C(CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(F)F)=O |
| Synonyms | Fmoc-3-amino-2,2-difluoro-propionic acid,
1310680-49-9,
SCHEMBL2665731,
HOZFQTTWTYZFHA-UHFFFAOYSA-N,
MFCD12408090,
ZINC44122486,
Fmoc alpha,alpha-difluoro-beta-alanine,
A-8966,
F2147-6855,
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-difluoropropanoic acid,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.318g/mol |
| Monoisotopic Mass | 347.097g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number