3-(3,5-Dichlorophenyl)-5-methoxybenzoic acid - CAS 1261954-74-8
Catalog: |
BB063038 |
Product Name: |
3-(3,5-Dichlorophenyl)-5-methoxybenzoic acid |
CAS: |
1261954-74-8 |
Synonyms: |
3-(3,5-DICHLOROPHENYL)-5-METHOXYBENZOIC ACID; 3',5'-Dichloro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid; 3',5'-Dichloro-5-methoxy-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(3,5-dichlorophenyl)-5-methoxybenzoic acid |
Description: | 3-(3,5-Dichlorophenyl)-5-methoxybenzoic acid |
Molecular Weight: | 297.13 |
Molecular Formula: | C14H10Cl2O3 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2)Cl)Cl |
InChI: | InChI=1S/C14H10Cl2O3/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7H,1H3,(H,17,18) |
InChI Key: | RBSFEHLYTMVVDN-UHFFFAOYSA-N |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.0006996 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.0006996 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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