2-Chloro-4-(3,5-dimethoxyphenyl)benzoic acid - CAS 1261992-00-0
Catalog: |
BB069587 |
Product Name: |
2-Chloro-4-(3,5-dimethoxyphenyl)benzoic acid |
CAS: |
1261992-00-0 |
Synonyms: |
2-CHLORO-4-(3,5-DIMETHOXYPHENYL)BENZOIC ACID; 3-Chloro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-3',5'-dimethoxy-[1,1'-biphenyl]-4-carboxylicacid; 3-Chloro-3',5'-dimethoxy[1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 2-chloro-4-(3,5-dimethoxyphenyl)benzoic acid |
Description: | 2-Chloro-4-(3,5-dimethoxyphenyl)benzoic acid |
Molecular Weight: | 292.71 |
Molecular Formula: | C15H13ClO4 |
Canonical SMILES: | COC1=CC(=CC(=C1)C2=CC(=C(C=C2)C(=O)O)Cl)OC |
InChI: | InChI=1S/C15H13ClO4/c1-19-11-5-10(6-12(8-11)20-2)9-3-4-13(15(17)18)14(16)7-9/h3-8H,1-2H3,(H,17,18) |
InChI Key: | VYJUVLGBBUTPNA-UHFFFAOYSA-N |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.0502366 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.0502366 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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