3-(4-Chloro-2-methoxyphenyl)benzonitrile - CAS 1352317-78-2
Catalog: |
BB055606 |
Product Name: |
3-(4-Chloro-2-methoxyphenyl)benzonitrile |
CAS: |
1352317-78-2 |
Synonyms: |
3-(4-Chloro-2-methoxyphenyl)benzonitrile;4'-Chloro-2'-methoxy[1,1'-biphenyl]-3-carbonitrile |
IUPAC Name: | 3-(4-chloro-2-methoxyphenyl)benzonitrile |
Description: | 3-(4-Chloro-2-methoxyphenyl)benzonitrile |
Molecular Weight: | 243.69 |
Molecular Formula: | C14H10ClNO |
Canonical SMILES: | COC1=C(C=CC(=C1)Cl)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C14H10ClNO/c1-17-14-8-12(15)5-6-13(14)11-4-2-3-10(7-11)9-16/h2-8H,1H3 |
InChI Key: | XURVKMUZOQWBPD-UHFFFAOYSA-N |
Complexity: | 298 |
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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