| CAS Number | 42718-21-8 |
| Catalog Number | AG00IRT0(AGN-PC-0WAY72) |
| Chemical Name | Methyl 2-Amino-2-(3-fluorophenyl)acetate Hydrochloride |
| IUPAC Name | methyl 2-amino-2-(3-fluorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H10FNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H |
| InChI Key | CYBPGAJVYNZAMH-UHFFFAOYSA-N |
| MDL Number | MFCD09152736 |
| Molecular Formula | C9H11ClFNO2 |
| Molecular Weight | 219.6405 |
| SMILES | Cl.COC(C(C1=CC(F)=CC=C1)N)=O |
| Synonyms | methyl amino(3-fluorophenyl)acetate hydrochloride,
42718-21-8,
methyl 2-amino-2-(3-fluorophenyl)acetate hydrochloride,
F2147-0630,
SCHEMBL5967048,
CTK6I7314,
CYBPGAJVYNZAMH-UHFFFAOYSA-N,
KS-000022TR,
MFCD09152736,
AKOS005071957,
BB-0809,
MCULE-1879103671,
RP12710,
TR-064335,
DL-2-(3-FLUOROPHENYL)-GLYCINE METHYL ESTER HCL,
methyl amino(3-fluorophenyl)acetate hydrochloride, AldrichCPR,
methyl 2-amino-2-(3-fluorophenyl)acetate;hydrochloride,
|
| Complexity | 187 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.64g/mol |
| Monoisotopic Mass | 219.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number