2-Chloro-4-(4-methoxyphenyl)benzonitrile - CAS 1355247-15-2
Catalog: |
BB069610 |
Product Name: |
2-Chloro-4-(4-methoxyphenyl)benzonitrile |
CAS: |
1355247-15-2 |
Synonyms: |
2-Chloro-4-(4-methoxyphenyl)benzonitrile; 3-Chloro-4'-methoxy[1,1'-biphenyl]-4-carbonitrile |
IUPAC Name: | 2-chloro-4-(4-methoxyphenyl)benzonitrile |
Description: | 2-Chloro-4-(4-methoxyphenyl)benzonitrile |
Molecular Weight: | 243.69 |
Molecular Formula: | C14H10ClNO |
Canonical SMILES: | COC1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)Cl |
InChI: | InChI=1S/C14H10ClNO/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3 |
InChI Key: | JWNPDPCVKKZXFO-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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