| CAS Number | 181519-32-4 |
| Catalog Number | AG00ASAE(AGN-PC-0QC1HL) |
| Chemical Name | methyl 3-amino-3-(4-fluorophenyl)propanoate |
| IUPAC Name | methyl 3-amino-3-(4-fluorophenyl)propanoate |
| InChI | InChI=1S/C10H12FNO2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3 |
| InChI Key | BULPFQGZGPHEBO-UHFFFAOYSA-N |
| MDL Number | MFCD06200581 |
| Molecular Formula | C10H12FNO2 |
| Molecular Weight | 197.2062 |
| SMILES | COC(CC(C1=CC=C(F)C=C1)N)=O |
| Synonyms | methyl 3-amino-3-(4-fluorophenyl)propanoate,
181519-32-4,
EN300-53957,
3-amino-3-(4-fluorophenyl)propionic acid methyl ester,
Methyl 3-amino-3-(4-fluorophenyl)propanoate HCl,
AC1MCH1L,
AC1Q43ZT,
SCHEMBL7236821,
CTK6J1757,
BULPFQGZGPHEBO-UHFFFAOYSA-N,
Propionic acid, 3-amino-3-(4-fluorophenyl)-, methyl ester,
AKOS009269262,
BBV-255757,
MCULE-6939459936,
DA-43467,
FT-0754801,
Methyl-3-amino-3-(4-fluorophenyl)propionate,
Z1415893956,
CID2769454,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.209g/mol |
| Monoisotopic Mass | 197.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number