| CAS Number | 610797-48-3 |
| Catalog Number | AG01BTD4(AGN-PC-0ACS02) |
| Chemical Name | 5-Fluoro-2-isopropoxybenzaldehyde |
| IUPAC Name | 5-fluoro-2-propan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C10H11FO2/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-7H,1-2H3 |
| InChI Key | AFTRUTHZFBFNAZ-UHFFFAOYSA-N |
| MDL Number | MFCD11639864 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | c1(ccc(c(c1)C=O)OC(C)C)F |
| Synonyms | 5-fluoro-2-isopropoxybenzaldehyde,
610797-48-3,
Benzaldehyde, 5-fluoro-2-(1-methylethoxy)-,
SCHEMBL41984,
CTK2E7413,
DTXSID20716777,
5-Fluoro-2-isopropoxy-benzaldehyde,
MFCD11639864,
ZINC37234230,
5-fluoro-2-(propan-2-yloxy)benzaldehyde,
5-Fluoro-2-[(propan-2-yl)oxy]benzaldehyde,
A1-05217,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number