| CAS Number | 1160293-58-2 |
| Catalog Number | AG000BFQ(AGN-PC-0WD065) |
| Chemical Name | 1-Fluoro-2-isopropoxybenzene |
| IUPAC Name | 1-fluoro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H11FO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,1-2H3 |
| InChI Key | KMDIOSJJYCFHRM-UHFFFAOYSA-N |
| MDL Number | MFCD18447593 |
| Molecular Formula | C9H11FO |
| Molecular Weight | 154.1814 |
| SMILES | c1(ccccc1F)OC(C)C |
| Synonyms | 1-Fluoro-2-isopropoxybenzene,
1160293-58-2,
SCHEMBL104729,
1-Fluoro-2-isopropoxy-benzene,
ZINC59028070,
AKOS006241263,
Benzene, 1-fluoro-2-(1-methylethoxy)-,
AJ-113200,
ST24038013,
Y3731,
Q-7274,
C9H11FO,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.184g/mol |
| Monoisotopic Mass | 154.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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