| CAS Number | 425704-52-5 |
| Catalog Number | AG00COUF(AGN-PC-0WP1TG) |
| Chemical Name | Methyl 3-(3-fluorophenyl)propanoate |
| IUPAC Name | methyl 3-(3-fluorophenyl)propanoate |
| InChI | InChI=1S/C10H11FO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3 |
| InChI Key | ZZUWMASGVAWMSC-UHFFFAOYSA-N |
| MDL Number | MFCD12031749 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | FC=1C=C(C=CC1)CCC(=O)OC |
| Synonyms | methyl 3-(3-fluorophenyl)propanoate,
425704-52-5,
Benzenepropanoic acid, 3-fluoro-, methyl ester,
SCHEMBL901672,
ZZUWMASGVAWMSC-UHFFFAOYSA-N,
MFCD12031749,
ZINC15014946,
AKOS000349100,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number