| CAS Number | 1269634-08-3 |
| Catalog Number | AG01DM8G |
| Chemical Name | METHYL 3-AMINO-3-(3-FLUOROPHENYL)PROPANOATE HYDROCHLORIDE |
| IUPAC Name | methyl 3-amino-3-(3-fluorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12FNO2.ClH/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7;/h2-5,9H,6,12H2,1H3;1H |
| InChI Key | JYMOEQWCXPGHHI-UHFFFAOYSA-N |
| MDL Number | MFCD22690300 |
| Molecular Formula | C10H13ClFNO2 |
| Molecular Weight | 233.6671 |
| SMILES | Cl.COC(CC(C1=CC(F)=CC=C1)N)=O |
| Synonyms | methyl 3-amino-3-(3-fluorophenyl)propanoate hydrochloride,
1269634-08-3,
METHYL 3-AMINO-3-(3-FLUOROPHENYL)PROPANOATE HCL,
SCHEMBL6339453,
JYMOEQWCXPGHHI-UHFFFAOYSA-N,
AKOS027330609,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.667g/mol |
| Monoisotopic Mass | 233.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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