| CAS Number | 473797-71-6 |
| Catalog Number | AG00I8MZ(AGN-PC-0WNGOO) |
| Chemical Name | (2S)-pyrrolidine-2-carbonitrile trifluoroacetate |
| IUPAC Name | (2S)-pyrrolidine-2-carbonitrile;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H8N2.C2HF3O2/c6-4-5-2-1-3-7-5;3-2(4,5)1(6)7/h5,7H,1-3H2;(H,6,7)/t5-;/m0./s1 |
| InChI Key | QROMHLFLMYDBEQ-JEDNCBNOSA-N |
| MDL Number | MFCD23703601 |
| Molecular Formula | C7H9F3N2O2 |
| Molecular Weight | 210.1538 |
| SMILES | OC(=O)C(F)(F)F.N#C[C@@H]1CCCN1 |
| Synonyms | (2S)-pyrrolidine-2-carbonitrile trifluoroacetate,
(S)-2-Cyanopyrrolidine tfa,
473797-71-6,
(2R)-pyrrolidine-2-carbonitrile trifluoroacetate,
SCHEMBL5414157,
QROMHLFLMYDBEQ-JEDNCBNOSA-N,
MFCD23703601,
AKOS027338640,
SB10642,
KS-000003Z6,
AS-33803,
CS-0053430,
2(s)cyanopyrrolidine trifluoroacetic acid salt,
EN300-248734,
pyrrolidine-2-carbonitrile trifluoroacetate,
(S)-Pyrrolidine-2-carbonitrile trifluoroacetate salt,
204387-53-1,
1523606-34-9,
739363-75-8,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.156g/mol |
| Monoisotopic Mass | 210.062g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 73.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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