| CAS Number | 70090-68-5 |
| Catalog Number | AG00FHJP(AGN-PC-0N6KA0) |
| Chemical Name | 1-Fluoro-4-(prop-2-yn-1-yl)benzene |
| IUPAC Name | 1-fluoro-4-prop-2-ynylbenzene |
| InChI | InChI=1S/C9H7F/c1-2-3-8-4-6-9(10)7-5-8/h1,4-7H,3H2 |
| InChI Key | XWRLOPARWUOGSM-UHFFFAOYSA-N |
| MDL Number | MFCD10698141 |
| Molecular Formula | C9H7F |
| Molecular Weight | 134.1503 |
| SMILES | FC1=CC=C(C=C1)CC#C |
| Synonyms | 70090-68-5,
1-fluoro-4-prop-2-ynyl-benzene,
1-FLUORO-4-(PROP-2-YN-1-YL)BENZENE,
Benzene, 1-fluoro-4-(2-propynyl)-,
SCHEMBL186500,
1-Fluoro-4prop-2-ynyl-benzene,
CTK2H5328,
DTXSID10441642,
XWRLOPARWUOGSM-UHFFFAOYSA-N,
1-fluoro-4-prop-2-yn-1-ylbenzene,
ZINC88189341,
AKOS006303187,
AB61384,
1-FLUORO-4-(PROP-2-YNYL)BENZENE,
Benzene, 1-fluoro-4-(2-propyn-1-yl)-,
FT-0768310,
CID10558668,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.153g/mol |
| Monoisotopic Mass | 134.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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