| CAS Number | 1001026-41-0 |
| Catalog Number | AG00H95U(AGN-PC-0WA3FN) |
| Chemical Name | 1-(2,2,2-TRIFLUOROACETYL)-3-AZETIDINECARBOXYLIC ACID |
| IUPAC Name | 1-(2,2,2-trifluoroacetyl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C6H6F3NO3/c7-6(8,9)5(13)10-1-3(2-10)4(11)12/h3H,1-2H2,(H,11,12) |
| InChI Key | FMPNGUOKMPVJQV-UHFFFAOYSA-N |
| MDL Number | MFCD22421758 |
| Molecular Formula | C6H6F3NO3 |
| Molecular Weight | 197.1119 |
| SMILES | OC(C1CN(C(C(F)(F)F)=O)C1)=O |
| Synonyms | 1001026-41-0,
1-(2,2,2-TRIFLUOROACETYL)-3-AZETIDINECARBOXYLIC ACID,
1-(trifluoroacetyl)azetidine-3-carboxylic acid,
SCHEMBL3290798,
FMPNGUOKMPVJQV-UHFFFAOYSA-N,
ZINC95100061,
AKOS024015913,
1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid, AldrichCPR,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.113g/mol |
| Monoisotopic Mass | 197.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
9
|
|
Hazard statements
|
H410
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P273-P501
|
|
UN Code
|
UN 3077
|
Certificate of Analysis
Lot Number