| CAS Number | 1193387-60-8 |
| Catalog Number | AG019WNG |
| Chemical Name | 2-{[(3-Fluorophenyl)methyl]amino}acetic acid hydrochloride |
| IUPAC Name | 2-[(3-fluorophenyl)methylamino]acetic acid;hydrochloride |
| InChI | InChI=1S/C9H10FNO2.ClH/c10-8-3-1-2-7(4-8)5-11-6-9(12)13;/h1-4,11H,5-6H2,(H,12,13);1H |
| InChI Key | NCMKDECBFYAORQ-UHFFFAOYSA-N |
| MDL Number | MFCD12913119 |
| Molecular Formula | C9H11ClFNO2 |
| Molecular Weight | 219.6405 |
| SMILES | Cl.OC(CNCC1=CC(F)=CC=C1)=O |
| Synonyms | 2-{[(3-fluorophenyl)methyl]amino}acetic acid hydrochloride,
1193387-60-8,
AC1Q3F0W,
CTK7J5314,
MCULE-2755840351,
NE28214,
EN300-52527,
Z763367852,
2-([(3-fluorophenyl)methyl]amino)acetic acid hydrochloride,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.64g/mol |
| Monoisotopic Mass | 219.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number