Methyl 4-benzyloxy-2-fluorobenzoate - CAS 1221179-04-9
Catalog: |
BB060004 |
Product Name: |
Methyl 4-benzyloxy-2-fluorobenzoate |
CAS: |
1221179-04-9 |
Synonyms: |
Methyl 4-benzyloxy-2-fluorobenzoate; Methyl 4-(benzyloxy)-2-fluorobenzoate; methyl 2-fluoro-4-phenylmethoxybenzoate; Methyl4-(benzyloxy)-2-fluorobenzoate |
IUPAC Name: | methyl 2-fluoro-4-phenylmethoxybenzoate |
Description: | Methyl 4-benzyloxy-2-fluorobenzoate |
Molecular Weight: | 260.26 |
Molecular Formula: | C15H13FO3 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F |
InChI: | InChI=1S/C15H13FO3/c1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
InChI Key: | SLDWWTLOLSEPBL-UHFFFAOYSA-N |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.08487243 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.08487243 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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