3-Cyano-5-(4-cyanophenyl)phenol - CAS 1261949-21-6
Catalog: |
BB069153 |
Product Name: |
3-Cyano-5-(4-cyanophenyl)phenol |
CAS: |
1261949-21-6 |
Synonyms: |
3-CYANO-5-(4-CYANOPHENYL)PHENOL; 3-(4-cyanophenyl)-5-hydroxybenzonitrile; 5-Hydroxy-[1,1'-biphenyl]-3,4'-dicarbonitrile |
IUPAC Name: | 3-(4-cyanophenyl)-5-hydroxybenzonitrile |
Description: | 3-Cyano-5-(4-cyanophenyl)phenol |
Molecular Weight: | 220.23 |
Molecular Formula: | C14H8N2O |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=CC(=CC(=C2)C#N)O |
InChI: | InChI=1S/C14H8N2O/c15-8-10-1-3-12(4-2-10)13-5-11(9-16)6-14(17)7-13/h1-7,17H |
InChI Key: | DIJDJBUVDVMXFR-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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