| CAS Number | 143654-59-5 |
| Catalog Number | AG007YNJ(AGN-PC-0WNO50) |
| Chemical Name | Methyl 3-(2-fluorophenyl)propanoate |
| IUPAC Name | methyl 3-(2-fluorophenyl)propanoate |
| InChI | InChI=1S/C10H11FO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3 |
| InChI Key | LIXJACUBEJXGIC-UHFFFAOYSA-N |
| MDL Number | MFCD12031751 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | COC(=O)CCc1ccccc1F |
| Synonyms | Methyl 3-(2-fluorophenyl)propanoate,
143654-59-5,
ACMC-209cr4,
SCHEMBL1444146,
Methyl 2-fluorobenzenepropanoate,
CTK8B0786,
DTXSID10573154,
LIXJACUBEJXGIC-UHFFFAOYSA-N,
methyl 3-(2-fluorophenyl)propionate,
ANW-20798,
MFCD12031751,
ZINC15014948,
AKOS000349101,
AJ-66736,
CJ-14923,
TC-109543,
V3256,
B-7249,
I14-25402,
C10H11FO2,
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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