| CAS Number | 1956318-12-9 |
| Catalog Number | AG019EY7 |
| Chemical Name | 5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one hydrochloride |
| IUPAC Name | 6-chlorospiro[2-benzofuran-3,4'-piperidine]-1-one;hydrochloride |
| InChI | InChI=1S/C12H12ClNO2.ClH/c13-8-1-2-10-9(7-8)11(15)16-12(10)3-5-14-6-4-12;/h1-2,7,14H,3-6H2;1H |
| InChI Key | LPHJMKJMWOHSFP-UHFFFAOYSA-N |
| MDL Number | MFCD18711515 |
| Molecular Formula | C12H13Cl2NO2 |
| Molecular Weight | 274.1431 |
| SMILES | O=C1OC2(CCNCC2)C3=C1C=C(Cl)C=C3.[H]Cl |
| Synonyms | 5-CHLORO-3H-SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONE HCL,
5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one hydrochloride,
1956318-12-9,
ACT06520,
BCP27198,
MFCD18711515,
ACN-044694,
AS-35894,
CS-0062450,
X-1948,
5-Chloro-3h-spiro[isobenzofuran-1,4'-piperidin]-3-one, HCl,
6-chlorospiro[2-benzofuran-3,4'-piperidine]-1-onehydrochloride,
180160-47-8,
5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.141g/mol |
| Monoisotopic Mass | 273.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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