4-[(3-Chlorophenyl)carbonyl]benzonitrile - CAS 261783-90-8
Catalog: |
BB055604 |
Product Name: |
4-[(3-Chlorophenyl)carbonyl]benzonitrile |
CAS: |
261783-90-8 |
Synonyms: |
4-[(3-Chlorophenyl)carbonyl]benzonitrile; 4-(3-chlorobenzoyl)benzonitrile |
IUPAC Name: | 4-(3-chlorobenzoyl)benzonitrile |
Description: | 4-[(3-Chlorophenyl)carbonyl]benzonitrile |
Molecular Weight: | 241.67 |
Molecular Formula: | C14H8ClNO |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C14H8ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8H |
InChI Key: | ZBPCMVUHBDEGPG-UHFFFAOYSA-N |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0294416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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