| CAS Number | 1956354-84-9 |
| Catalog Number | AG01DHKP |
| Chemical Name | Methyl 3-((dimethylamino)methyl)-5-fluorobenzoate hydrochloride |
| IUPAC Name | methyl 3-[(dimethylamino)methyl]-5-fluorobenzoate;hydrochloride |
| InChI | InChI=1S/C11H14FNO2.ClH/c1-13(2)7-8-4-9(11(14)15-3)6-10(12)5-8;/h4-6H,7H2,1-3H3;1H |
| InChI Key | CAVCFNJIQXTJNN-UHFFFAOYSA-N |
| MDL Number | MFCD28991919 |
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.6937 |
| SMILES | Cl.COC(=O)c1cc(F)cc(CN(C)C)c1 |
| Synonyms | 1956354-84-9,
Methyl 3-((dimethylamino)methyl)-5-fluorobenzoate hydrochloride,
METHYL 3-((DIMETHYLAMINO)METHYL)-5-FLUOROBENZOATE HCL,
MFCD28991919,
CS-0039928,
Benzoic acid, 3-[(dimethylamino)methyl]-5-fluoro-, methyl ester, hydrochloride (1:1),
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.694g/mol |
| Monoisotopic Mass | 247.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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