| CAS Number | 42122-44-1 |
| Catalog Number | AG00CLQN |
| Chemical Name | methyl 3-(4-fluorophenyl)prop-2-ynoate |
| IUPAC Name | methyl 3-(4-fluorophenyl)prop-2-ynoate |
| InChI | InChI=1S/C10H7FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,1H3 |
| InChI Key | RXGVUTFSIPIPDU-UHFFFAOYSA-N |
| MDL Number | MFCD13191989 |
| Molecular Formula | C10H7FO2 |
| Molecular Weight | 178.1598 |
| SMILES | O=C(OC)C#CC1=CC=C(F)C=C1 |
| Synonyms | Methyl 3-(4-fluorophenyl)prop-2-ynoate,
42122-44-1,
methyl 3-(4-fluorophenyl)propiolate,
SCHEMBL124923,
methyl 4-fluorophenylpropiolate,
RXGVUTFSIPIPDU-UHFFFAOYSA-N,
Methyl 3-(4fluorophenyl)propiolate,
methyl 3-(4-fluorophenyl)propynoate,
MFCD13191989,
ZINC38282399,
AKOS005266590,
(4-fluorophenyl)propynoic acid methyl ester,
(4-fluoro-phenyl)-propynoic acid methyl ester,
3-(4-Fluorophenyl)propiolic acid methyl ester,
2-Propynoic acid, 3-(4-fluorophenyl)-, methyl ester,
CID11126821,
Methyl 3-(4-fluorophenyl)-2-propynoate,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.162g/mol |
| Monoisotopic Mass | 178.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number