Methyl 2-cyano-3-(2-fluorophenyl)propanoate - CAS 67571-38-4
Catalog: |
BB059209 |
Product Name: |
Methyl 2-cyano-3-(2-fluorophenyl)propanoate |
CAS: |
67571-38-4 |
Synonyms: |
Methyl 2-cyano-3-(2-fluorophenyl)propanoate; Methyl2-cyano-3-(2-fluorophenyl)propanoate; 2-Cyano-3-(o-fluorophenyl)propionic acid methyl ester |
IUPAC Name: | methyl 2-cyano-3-(2-fluorophenyl)propanoate |
Description: | Methyl 2-cyano-3-(2-fluorophenyl)propanoate |
Molecular Weight: | 207.2 |
Molecular Formula: | C11H10FNO2 |
Canonical SMILES: | COC(=O)C(CC1=CC=CC=C1F)C#N |
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 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.06955672 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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