2-Chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid - CAS 1261892-14-1
Catalog: |
BB069408 |
Product Name: |
2-Chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid |
CAS: |
1261892-14-1 |
Synonyms: |
2-CHLORO-4-(4-FLUORO-3-METHOXYPHENYL)BENZOIC ACID; 3-Chloro-4'-fluoro-3'-methoxy-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-4/'-fluoro-3/'-Methoxy-[1,1/'-biphenyl]-4-carboxylic acid; 3-Chloro-4'-fluoro-3'-methoxy-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid |
Description: | 2-Chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid |
Molecular Weight: | 280.68 |
Molecular Formula: | C14H10ClFO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)C(=O)O)Cl)F |
InChI: | InChI=1S/C14H10ClFO3/c1-19-13-7-9(3-5-12(13)16)8-2-4-10(14(17)18)11(15)6-8/h2-7H,1H3,(H,17,18) |
InChI Key: | UFGMYLDVJQPRMM-UHFFFAOYSA-N |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.03025 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.03025 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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