| CAS Number | 1330750-41-8 |
| Catalog Number | AG00146B(AGN-PC-0AC0WA) |
| Chemical Name | Methyl 2-fluoro-4-propoxybenzoate |
| IUPAC Name | methyl 2-fluoro-4-propoxybenzoate |
| InChI | InChI=1S/C11H13FO3/c1-3-6-15-8-4-5-9(10(12)7-8)11(13)14-2/h4-5,7H,3,6H2,1-2H3 |
| InChI Key | UENVVTLOYMGCGU-UHFFFAOYSA-N |
| MDL Number | MFCD19981550 |
| Molecular Formula | C11H13FO3 |
| Molecular Weight | 212.2175 |
| SMILES | CCCOc1ccc(c(c1)F)C(=O)OC |
| Synonyms | Methyl 2-fluoro-4-propoxybenzoate,
1330750-41-8,
ACMC-209br5,
CTK8B0173,
DTXSID80716516,
ANW-19503,
MFCD19981550,
ZINC74937860,
AKOS015888710,
CJ-21804,
AJ-121473,
TC-108248,
Z9684,
Benzoic acid, 2-fluoro-4-propoxy-, methyl ester,
I01-11638,
C11H13FO3,
B-7139,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.22g/mol |
| Monoisotopic Mass | 212.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number