4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid - CAS 1261904-84-0
Catalog: |
BB062482 |
Product Name: |
4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid |
CAS: |
1261904-84-0 |
Synonyms: |
2'-Chloro-2-fluoro-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid; 4-(2-CHLORO-5-METHOXYPHENYL)-3-FLUOROBENZOIC ACID; 2/'-Chloro-2-fluoro-5/'-Methoxy-[1,1/'-biphenyl]-4-carboxylic acid; 2'-Chloro-2-fluoro-5'-methoxy-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 4-(2-chloro-5-methoxyphenyl)-3-fluorobenzoic acid |
Description: | 4-(2-Chloro-5-methoxyphenyl)-3-fluorobenzoic acid |
Molecular Weight: | 280.68 |
Molecular Formula: | C14H10ClFO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)Cl)C2=C(C=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H10ClFO3/c1-19-9-3-5-12(15)11(7-9)10-4-2-8(14(17)18)6-13(10)16/h2-7H,1H3,(H,17,18) |
InChI Key: | UAJJDRBRMQMSRE-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: | 4.1 |
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