Methyl 4-(3-chloro-4-cyanophenyl)benzoate - CAS 1355247-89-0
Catalog: |
BB075952 |
Product Name: |
Methyl 4-(3-chloro-4-cyanophenyl)benzoate |
CAS: |
1355247-89-0 |
Synonyms: |
Methyl 4-(3-chloro-4-cyanophenyl)benzoate; Methyl 3'-chloro-4'-cyano-[1,1'-biphenyl]-4-carboxylate; Methyl3'-chloro-4'-cyano-[1,1'-biphenyl]-4-carboxylate |
IUPAC Name: | methyl 4-(3-chloro-4-cyanophenyl)benzoate |
Description: | Methyl 4-(3-chloro-4-cyanophenyl)benzoate |
Molecular Weight: | 271.7 |
Molecular Formula: | C15H10ClNO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)Cl |
InChI: | InChI=1S/C15H10ClNO2/c1-19-15(18)11-4-2-10(3-5-11)12-6-7-13(9-17)14(16)8-12/h2-8H,1H3 |
InChI Key: | UZKKNFVNRRMTGV-UHFFFAOYSA-N |
Complexity: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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