| CAS Number | 887574-32-5 |
| Catalog Number | AG008BOI(AGN-PC-0WNXSI) |
| Chemical Name | Ethyl 3-[(4-fluorophenyl)amino]propanoate |
| IUPAC Name | ethyl 3-(4-fluoroanilino)propanoate |
| InChI | InChI=1S/C11H14FNO2/c1-2-15-11(14)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3 |
| InChI Key | YYSGZZDJIUQIMF-UHFFFAOYSA-N |
| MDL Number | MFCD10567166 |
| Molecular Formula | C11H14FNO2 |
| Molecular Weight | 211.2328 |
| SMILES | CCOC(=O)CCNc1ccc(cc1)F |
| Synonyms | Ethyl 3-[(4-fluorophenyl)amino]propanoate,
887574-32-5,
Ethyl 3-((4-fluorophenyl)amino)propanoate,
SCHEMBL9830217,
CTK5G1382,
DTXSID90630077,
ZX-AP010305,
PC6097,
SBB094491,
ZINC36985674,
MCULE-6431183776,
N-(Ethoxycarbonyl)ethyl-4-fluoroaniline,
Ethyl N-(4-fluorophenyl)-beta-alaninate,
ethyl N-(4-fluorophenyl)-3-aminopropanoate,
ETHYL 3-[(4-FLUOROPHENYL)AMINO]PROPANOATE 97%,
Ethyl N-(4-fluorophenyl)-3-aminopropionate,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.236g/mol |
| Monoisotopic Mass | 211.101g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number