| CAS Number | 1790140-56-5 |
| Catalog Number | AG01BDBF |
| Chemical Name | 2-(phenoxymethyl)-1,4-dihydropyrimidin-4-one hydrochloride |
| IUPAC Name | 2-(phenoxymethyl)-1H-pyrimidin-6-one;hydrochloride |
| InChI | InChI=1S/C11H10N2O2.ClH/c14-11-6-7-12-10(13-11)8-15-9-4-2-1-3-5-9;/h1-7H,8H2,(H,12,13,14);1H |
| InChI Key | QTKCZHHYSBLFSH-UHFFFAOYSA-N |
| MDL Number | MFCD28012452 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.6702 |
| SMILES | Cl.O=C1N=C(COC2=CC=CC=C2)NC=C1 |
| Synonyms | 2-(phenoxymethyl)-1,4-dihydropyrimidin-4-one hydrochloride,
1790140-56-5,
MCULE-6352354728,
Z1836155369,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.671g/mol |
| Monoisotopic Mass | 238.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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