| CAS Number | 1423033-66-2 |
| Catalog Number | AG01A35B(AGN-PC-0WOTJA) |
| Chemical Name | 1-amino-3,3-difluorocyclobutane-1-carboxylic acid hydrochloride |
| IUPAC Name | 1-amino-3,3-difluorocyclobutane-1-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C5H7F2NO2.ClH/c6-5(7)1-4(8,2-5)3(9)10;/h1-2,8H2,(H,9,10);1H |
| InChI Key | HRHLPQLJXDERSV-UHFFFAOYSA-N |
| MDL Number | MFCD22628510 |
| Molecular Formula | C5H8ClF2NO2 |
| Molecular Weight | 187.5723 |
| SMILES | Cl.NC1(C(O)=O)CC(F)(F)C1 |
| Synonyms | 1-amino-3,3-difluorocyclobutane-1-carboxylic acid hydrochloride,
1423033-66-2,
AKOS026743184,
MCULE-7017288238,
EN300-120275,
Z1603778714,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.571g/mol |
| Monoisotopic Mass | 187.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number