Methyl 4-(2-cyanophenyl)benzoate - CAS 89900-98-1
Catalog: |
BB076193 |
Product Name: |
Methyl 4-(2-cyanophenyl)benzoate |
CAS: |
89900-98-1 |
Synonyms: |
Methyl 4-(2-cyanophenyl)benzoate; Methyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate; Methyl2'-cyano-[1,1'-biphenyl]-4-carboxylate |
IUPAC Name: | methyl 4-(2-cyanophenyl)benzoate |
Description: | Methyl 4-(2-cyanophenyl)benzoate |
Molecular Weight: | 237.25 |
Molecular Formula: | C15H11NO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C#N |
InChI: | InChI=1S/C15H11NO2/c1-18-15(17)12-8-6-11(7-9-12)14-5-3-2-4-13(14)10-16/h2-9H,1H3 |
InChI Key: | ZSTFCQLEIZCGLE-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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