4-(4-Chloro-3-cyanophenyl)-2-methoxyphenol - CAS 1261901-36-3
Catalog: |
BB069832 |
Product Name: |
4-(4-Chloro-3-cyanophenyl)-2-methoxyphenol |
CAS: |
1261901-36-3 |
Synonyms: |
4-(4-CHLORO-3-CYANOPHENYL)-2-METHOXYPHENOL; 4-Chloro-4'-hydroxy-3'-methoxy-[1,1'-biphenyl]-3-carbonitrile; 2-chloro-5-(4-hydroxy-3-methoxyphenyl)benzonitrile |
IUPAC Name: | 2-chloro-5-(4-hydroxy-3-methoxyphenyl)benzonitrile |
Description: | 4-(4-Chloro-3-cyanophenyl)-2-methoxyphenol |
Molecular Weight: | 259.69 |
Molecular Formula: | C14H10ClNO2 |
Canonical SMILES: | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)Cl)C#N)O |
InChI: | InChI=1S/C14H10ClNO2/c1-18-14-7-10(3-5-13(14)17)9-2-4-12(15)11(6-9)8-16/h2-7,17H,1H3 |
InChI Key: | ZBLVLJOORLJUFQ-UHFFFAOYSA-N |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0400063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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