3-(2-Fluoro-4-methoxycarbonylphenyl)benzoic acid - CAS 1261915-45-0
Catalog: |
BB064909 |
Product Name: |
3-(2-Fluoro-4-methoxycarbonylphenyl)benzoic acid |
CAS: |
1261915-45-0 |
Synonyms: |
3-(2-FLUORO-4-METHOXYCARBONYLPHENYL)BENZOIC ACID; 3-(2-FLUORO-4-METHOXYCARBONYLPHENYL)BENZOICACID; 2'-Fluoro-4'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 3-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid |
Description: | 3-(2-Fluoro-4-methoxycarbonylphenyl)benzoic acid |
Molecular Weight: | 274.24 |
Molecular Formula: | C15H11FO4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)F |
InChI: | InChI=1S/C15H11FO4/c1-20-15(19)11-5-6-12(13(16)8-11)9-3-2-4-10(7-9)14(17)18/h2-8H,1H3,(H,17,18) |
InChI Key: | YTSVKVNTVUOEML-UHFFFAOYSA-N |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.06413699 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.06413699 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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