| CAS Number | 1803590-72-8 |
| Catalog Number | AG00IL8R(AGN-PC-0WQUQ9) |
| Chemical Name | 3-(Trifluoromethoxy)azetidine hydrochloride |
| IUPAC Name | 3-(trifluoromethoxy)azetidine |
| InChI | InChI=1S/C4H6F3NO/c5-4(6,7)9-3-1-8-2-3/h3,8H,1-2H2 |
| InChI Key | AQJPOLHQCSQUHQ-UHFFFAOYSA-N |
| MDL Number | MFCD26097230 |
| Molecular Formula | C4H7ClF3NO |
| Molecular Weight | 177.5527 |
| SMILES | Cl.FC(OC1CNC1)(F)F |
| Synonyms | 3-(trifluoromethoxy)azetidine,
1803590-72-8,
SCHEMBL17979286,
AQJPOLHQCSQUHQ-UHFFFAOYSA-N,
ZINC91252399,
FCH2328573,
EN300-219444,
1422766-39-9,
|
| Complexity | 98.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.093g/mol |
| Monoisotopic Mass | 141.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number