4-(2-Methoxyphenoxy)benzonitrile - CAS 78338-67-7
Catalog: |
BB059384 |
Product Name: |
4-(2-Methoxyphenoxy)benzonitrile |
CAS: |
78338-67-7 |
Synonyms: |
4-(2-methoxyphenoxy)benzonitrile; Benzonitrile, 4-(2-methoxyphenoxy)- |
IUPAC Name: | 4-(2-methoxyphenoxy)benzonitrile |
Description: | 4-(2-Methoxyphenoxy)benzonitrile |
Molecular Weight: | 225.24 |
Molecular Formula: | C14H11NO2 |
Canonical SMILES: | COC1=CC=CC=C1OC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C14H11NO2/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h2-9H,1H3 |
InChI Key: | WCBJZVLPHCVODR-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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