| CAS Number | 1072944-61-6 |
| Catalog Number | AG003CTE(AGN-PC-07XU50) |
| Chemical Name | 1-(2-Bromo-4-nitrophenyl)-4-hydroxypiperidine |
| IUPAC Name | 1-(2-bromo-4-nitrophenyl)piperidin-4-ol |
| InChI | InChI=1S/C11H13BrN2O3/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 | YOMKNXAARQAXFZ-UHFFFAOYSA-N |
| MDL Number | MFCD11039803 |
| Molecular Formula | C11H13BrN2O3 |
| Molecular Weight | 301.1365 |
| SMILES | BrC1=CC(=CC=C1N1CCC(CC1)O)[N+](=O)[O-] |
| Synonyms | 1072944-61-6,
1-(2-Bromo-4-nitrophenyl)piperidin-4-ol,
1-(2-BROMO-4-NITROPHENYL)-4-HYDROXYPIPERIDINE,
ACMC-2098p6,
CTK4A5156,
DTXSID10674791,
ANW-15544,
MFCD11039803,
ZINC38537235,
AKOS010988978,
RTR-001461,
ABA-6323051,
AJ-95996,
AX8229577,
ST2403082,
TR-001461,
Z6968,
A-4460,
I14-24631,
C11H13BrN2O3,
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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 | 300.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.14g/mol |
| Monoisotopic Mass | 300.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number