Ethyl 2-fluoro-4-(4-formylphenyl)benzoate - CAS 1393442-35-7
Catalog: |
BB056005 |
Product Name: |
Ethyl 2-fluoro-4-(4-formylphenyl)benzoate |
CAS: |
1393442-35-7 |
Synonyms: |
Ethyl 2-fluoro-4-(4-formylphenyl)benzoate; Ethyl2-fluoro-4-(4-formylphenyl)benzoate; [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-4'-formyl-, ethyl ester |
IUPAC Name: | ethyl 2-fluoro-4-(4-formylphenyl)benzoate |
Description: | Ethyl 2-fluoro-4-(4-formylphenyl)benzoate |
Molecular Weight: | 272.27 |
Molecular Formula: | C16H13FO3 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)C=O)F |
InChI: | InChI=1S/C16H13FO3/c1-2-20-16(19)14-8-7-13(9-15(14)17)12-5-3-11(10-18)4-6-12/h3-10H,2H2,1H3 |
InChI Key: | VGMXGDSSWKQJOW-UHFFFAOYSA-N |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.08487243 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.08487243 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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