| CAS Number | 873537-50-9 |
| Catalog Number | AG00IEHO(AGN-PC-0NMP6T) |
| Chemical Name | 1-(2-Fluoro-4-nitrophenyl)piperidin-4-ol |
| IUPAC Name | 1-(2-fluoro-4-nitrophenyl)piperidin-4-ol |
| InChI | InChI=1S/C11H13FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-2,7,9,15H,3-6H2 |
| InChI Key | OHJPBJCNSVQUJC-UHFFFAOYSA-N |
| MDL Number | MFCD08692381 |
| Molecular Formula | C11H13FN2O3 |
| Molecular Weight | 240.2309 |
| SMILES | FC1C=C(C=CC=1N1CCC(CC1)O)[N+](=O)[O-] |
| Synonyms | 1-(2-Fluoro-4-nitrophenyl)piperidin-4-ol,
873537-50-9,
SCHEMBL853559,
CTK8A0506,
OHJPBJCNSVQUJC-UHFFFAOYSA-N,
SBB099257,
ZINC15443729,
AKOS009359430,
AM88022,
1-(2-fluoro-4-nitrophenyl)piperidin-4-o,
1-(2-Fluoro-4-nitrophenyl)-4-piperidinol,
TR-048256,
4-Piperidinol, 1-(2-fluoro-4-nitrophenyl)-,
Z-0546,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.09102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.23g/mol |
| Monoisotopic Mass | 240.09102g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number