| CAS Number | 1021144-38-6 |
| Catalog Number | AG009N3B(AGN-PC-0WQVLT) |
| Chemical Name | 4-(Cyclopropylmethoxy)-3-fluorobenzoic acid |
| IUPAC Name | 4-(cyclopropylmethoxy)-3-fluorobenzoic acid |
| InChI | InChI=1S/C11H11FO3/c12-9-5-8(11(13)14)3-4-10(9)15-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14) |
| InChI Key | QSUMQCBKOZDHNX-UHFFFAOYSA-N |
| MDL Number | MFCD11156579 |
| Molecular Formula | C11H11FO3 |
| Molecular Weight | 210.2016 |
| SMILES | C1(CC1)COC1=C(C=C(C(=O)O)C=C1)F |
| Synonyms | 4-(cyclopropylmethoxy)-3-fluorobenzoic acid,
1021144-38-6,
SCHEMBL15968784,
QSUMQCBKOZDHNX-UHFFFAOYSA-N,
MFCD11156579,
ZINC20080306,
AKOS000264008,
CS-0037978,
A1-07163,
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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 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number