5-Chloro-3-(4-methoxycarbonylphenyl)benzoic acid - CAS 1262004-81-8
Catalog: |
BB069596 |
Product Name: |
5-Chloro-3-(4-methoxycarbonylphenyl)benzoic acid |
CAS: |
1262004-81-8 |
Synonyms: |
5-CHLORO-3-(4-METHOXYCARBONYLPHENYL)BENZOIC ACID; 3-chloro-5-(4-methoxycarbonylphenyl)benzoic acid; 5-CHLORO-3-(4-METHOXYCARBONYLPHENYL)BENZOICACID; 5-Chloro-4'-(methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 3-chloro-5-(4-methoxycarbonylphenyl)benzoic acid |
Description: | 5-Chloro-3-(4-methoxycarbonylphenyl)benzoic acid |
Molecular Weight: | 290.7 |
Molecular Formula: | C15H11ClO4 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)C(=O)O |
InChI: | InChI=1S/C15H11ClO4/c1-20-15(19)10-4-2-9(3-5-10)11-6-12(14(17)18)8-13(16)7-11/h2-8H,1H3,(H,17,18) |
InChI Key: | HPQJHVRZRNPIAV-UHFFFAOYSA-N |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.0345865 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.0345865 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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