| CAS Number | 742086-08-4 |
| Catalog Number | AG00ICHP(AGN-PC-03YOB5) |
| Chemical Name | 4-(Cyclopropylmethoxy)-2-fluorobenzoic acid |
| IUPAC Name | 4-(cyclopropylmethoxy)-2-fluorobenzoic acid |
| InChI | InChI=1S/C11H11FO3/c12-10-5-8(15-6-7-1-2-7)3-4-9(10)11(13)14/h3-5,7H,1-2,6H2,(H,13,14) |
| InChI Key | VKUOOCAJGLYUED-UHFFFAOYSA-N |
| MDL Number | MFCD24483798 |
| Molecular Formula | C11H11FO3 |
| Molecular Weight | 210.2016 |
| SMILES | OC(=O)c1ccc(OCC2CC2)cc1F |
| Synonyms | 4-(cyclopropylmethoxy)-2-fluorobenzoic acid,
742086-08-4,
Benzoic acid, 4-(cyclopropylmethoxy)-2-fluoro-,
SCHEMBL927683,
VKUOOCAJGLYUED-UHFFFAOYSA-N,
MFCD24483798,
ZINC96032012,
CS-0035950,
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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 | 210.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.204g/mol |
| Monoisotopic Mass | 210.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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