| CAS Number | 623583-09-5 |
| Catalog Number | AG00IB0O(AGN-PC-0ODPPJ) |
| Chemical Name | (2S,4R)-4-fluoro-2-pyrrolidinemethanol hydrochloride |
| IUPAC Name | [(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride |
| InChI | InChI=1S/C5H10FNO.ClH/c6-4-1-5(3-8)7-2-4;/h4-5,7-8H,1-3H2;1H/t4-,5+;/m1./s1 |
| InChI Key | MCSMAEKVMQAPIQ-JBUOLDKXSA-N |
| MDL Number | MFCD28119074 |
| Molecular Formula | C5H11ClFNO |
| Molecular Weight | 155.5983 |
| SMILES | OC[C@H]1NC[C@H](F)C1.[H]Cl |
| Synonyms | 623583-09-5,
((2s,4r)-4-fluoropyrrolidin-2-yl)methanol hydrochloride,
((2S,4R)-4-Fluoropyrrolidin-2-yl)methanol HCl,
[(2S,4R)-4-FLUOROPYRROLIDIN-2-YL]METHANOL HYDROCHLORIDE,
SCHEMBL2146004,
AS-70443,
CS-0035888,
[(2S,4R)-4-fluoropyrrolidin-2-yl]methanol;hydrochloride,
2-Pyrrolidinemethanol, 4-fluoro-, hydrochloride, (2S,4R)-,
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| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.05132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.6g/mol |
| Monoisotopic Mass | 155.05132g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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