| CAS Number | 67571-38-4 |
| Catalog Number | AG006E3A(AGN-PC-0TOWEN) |
| Chemical Name | Methyl 2-cyano-3-(2-fluorophenyl)propanoate |
| IUPAC Name | methyl 2-cyano-3-(2-fluorophenyl)propanoate |
| InChI | InChI=1S/C11H10FNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3 |
| InChI Key | SRPVOGCOJSGGBW-UHFFFAOYSA-N |
| MDL Number | MFCD19316085 |
| Molecular Formula | C11H10FNO2 |
| Molecular Weight | 207.2010 |
| SMILES | N#CC(C(=O)OC)Cc1ccccc1F |
| Synonyms | Methyl 2-cyano-3-(2-fluorophenyl)propanoate,
67571-38-4,
ACMC-209o00,
CTK8B2142,
DTXSID70743093,
0402AC,
ANW-35374,
MFCD19316085,
AX8243190,
TC-124119,
B-8977,
2-Cyano-3-(o-fluorophenyl)propionic acid methyl ester,
C11H10FNO2,
Methyl2-cyano-3-(2-fluorophenyl)propanoate,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.204g/mol |
| Monoisotopic Mass | 207.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number