Methyl 2-fluoro-5-(4-formylphenyl)benzoate - CAS 1393442-20-0
Catalog: |
BB076007 |
Product Name: |
Methyl 2-fluoro-5-(4-formylphenyl)benzoate |
CAS: |
1393442-20-0 |
Synonyms: |
Methyl 2-fluoro-5-(4-formylphenyl)benzoate; Methyl2-fluoro-5-(4-formylphenyl)benzoate; [1,1'-Biphenyl]-3-carboxylic acid, 4-fluoro-4'-formyl-, methyl ester |
IUPAC Name: | methyl 2-fluoro-5-(4-formylphenyl)benzoate |
Description: | Methyl 2-fluoro-5-(4-formylphenyl)benzoate |
Molecular Weight: | 258.24 |
Molecular Formula: | C15H11FO3 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C2=CC=C(C=C2)C=O)F |
InChI: | InChI=1S/C15H11FO3/c1-19-15(18)13-8-12(6-7-14(13)16)11-4-2-10(9-17)3-5-11/h2-9H,1H3 |
InChI Key: | PULSTZYYRGUBOM-UHFFFAOYSA-N |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.06922237 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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