| CAS Number | 1331775-99-5 |
| Catalog Number | AG00HSSW(AGN-PC-0WG3QM) |
| Chemical Name | (4,4-Difluoropiperidin-3-yl)methanol hydrochloride |
| IUPAC Name | (4,4-difluoropiperidin-3-yl)methanol;hydrochloride |
| InChI | InChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-3-5(6)4-10;/h5,9-10H,1-4H2;1H |
| InChI Key | FZLKYPPNCKYROE-UHFFFAOYSA-N |
| MDL Number | MFCD21602015 |
| Molecular Formula | C6H12ClF2NO |
| Molecular Weight | 187.6154 |
| SMILES | Cl.OCC1C(F)(F)CCNC1 |
| Synonyms | 1331775-99-5,
(4,4-Difluoropiperidin-3-yl)methanol hydrochloride,
(4,4-Difluoropiperidin-3-yl)methanol HCl,
C6H12ClF2NO,
4,4-Difluoro-3-hydroxymethylpiperidine hydrochloride,
SCHEMBL2345098,
MFCD21602015,
PC430178,
EN300-219706,
(4,4-difluoropiperidin-3-yl)methanol;hydrochloride,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.615g/mol |
| Monoisotopic Mass | 187.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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