| CAS Number | 121039-98-3 |
| Catalog Number | AG003LFZ(AGN-PC-002NDD) |
| Chemical Name | 1-(2,2-Dimethoxyethyl)-4-fluorobenzene |
| IUPAC Name | 1-(2,2-dimethoxyethyl)-4-fluorobenzene |
| InChI | InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-3-5-9(11)6-4-8/h3-6,10H,7H2,1-2H3 |
| InChI Key | ICDKNFHCKJLHMN-UHFFFAOYSA-N |
| MDL Number | MFCD16875662 |
| Molecular Formula | C10H13FO2 |
| Molecular Weight | 184.2074 |
| SMILES | COC(OC)CC1=CC=C(F)C=C1 |
| Synonyms | 1-(2,2-dimethoxyethyl)-4-fluorobenzene,
121039-98-3,
4-Fluorophenylacetaldehyde dimethylacetal,
SCHEMBL9718322,
DTXSID50564369,
ZINC34371061,
AKOS033199685,
MCULE-5852933191,
NE41371,
EN300-74911,
4-Fluorophenylacetaldehyde dimethylacetal, 95%,
Z1259086985,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.21g/mol |
| Monoisotopic Mass | 184.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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