| CAS Number | 691904-77-5 |
| Catalog Number | AG00IBWU(AGN-PC-03YL7J) |
| Chemical Name | Ethyl 3-(2-Fluoro-4-methoxyphenyl)propanoate |
| IUPAC Name | ethyl 3-(2-fluoro-4-methoxyphenyl)propanoate |
| InChI | InChI=1S/C12H15FO3/c1-3-16-12(14)7-5-9-4-6-10(15-2)8-11(9)13/h4,6,8H,3,5,7H2,1-2H3 |
| InChI Key | ZTHVZSUQIOWMDB-UHFFFAOYSA-N |
| MDL Number | MFCD18396469 |
| Molecular Formula | C12H15FO3 |
| Molecular Weight | 226.2441 |
| SMILES | CCOC(=O)CCc1ccc(OC)cc1F |
| Synonyms | Ethyl 3-(2-Fluoro-4-methoxyphenyl)propanoate,
691904-77-5,
ETHYL 3-(2'-FLUORO-4'-METHOXYPHENYL)PROPIONATE,
Benzenepropanoic acid, 2-fluoro-4-methoxy-, ethyl ester,
SCHEMBL434775,
KS-00001AOG,
ZTHVZSUQIOWMDB-UHFFFAOYSA-N,
MFCD18396469,
ZINC91304881,
AKOS027255529,
AM805819,
SY023752,
CS-0037020,
ethyl 3-(2-fluoro-4-methoxyphenyl)propionate,
MFCD18396469 (95%),
3-(2-fluoro-4-methoxy-phenyl)-propionic acid ethyl ester,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.247g/mol |
| Monoisotopic Mass | 226.101g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number