Methyl 2'-Methyl-[1,1'-biphenyl]-2-carboxylate - CAS 188943-06-8
Catalog: |
BB076006 |
Product Name: |
Methyl 2'-Methyl-[1,1'-biphenyl]-2-carboxylate |
CAS: |
188943-06-8 |
Synonyms: |
2'-Methylbiphenyl-2-carboxylic Acid Methyl Ester |
IUPAC Name: | methyl 2-(2-methylphenyl)benzoate |
Description: | Methyl 2'-Methyl-[1,1'-biphenyl]-2-carboxylate is a reagent for the synthesis of nonpeptide arginine vasopressin antagonists for both V1A and V2 receptors. |
Molecular Weight: | 226.27 |
Molecular Formula: | C15H14O2 |
Canonical SMILES: | CC1=CC=CC=C1C2=CC=CC=C2C(=O)OC |
InChI: | InChI=1S/C15H14O2/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15(16)17-2/h3-10H,1-2H3 |
InChI Key: | CYFOMARCXDOJCV-UHFFFAOYSA-N |
References: | Matsuhisa, A., et al. Chem. Pharma. Bull., 45, (1997). |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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