2-Chloro-4-(3-methoxycarbonylphenyl)benzoic acid - CAS 1262004-76-1
Catalog: |
BB069595 |
Product Name: |
2-Chloro-4-(3-methoxycarbonylphenyl)benzoic acid |
CAS: |
1262004-76-1 |
Synonyms: |
2-CHLORO-4-(3-METHOXYCARBONYLPHENYL)BENZOIC ACID; 3-Chloro-3'-(methoxycarbonyl)-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-3'-(methoxycarbonyl)-[1,1'-biphenyl]-4-carboxylicacid; 3-Chloro-3'-(methoxycarbonyl)[1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 2-chloro-4-(3-methoxycarbonylphenyl)benzoic acid |
Description: | 2-Chloro-4-(3-methoxycarbonylphenyl)benzoic acid |
Molecular Weight: | 290.7 |
Molecular Formula: | C15H11ClO4 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C15H11ClO4/c1-20-15(19)11-4-2-3-9(7-11)10-5-6-12(14(17)18)13(16)8-10/h2-8H,1H3,(H,17,18) |
InChI Key: | VZNJWEPVHKLJCE-UHFFFAOYSA-N |
Complexity: | 371 |
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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