4-(3,5-Dichlorophenyl)-2-fluorobenzonitrile - CAS 1361759-33-2
Catalog: |
BB066967 |
Product Name: |
4-(3,5-Dichlorophenyl)-2-fluorobenzonitrile |
CAS: |
1361759-33-2 |
Synonyms: |
4-(3,5-DICHLOROPHENYL)-2-FLUOROBENZONITRILE |
IUPAC Name: | 4-(3,5-dichlorophenyl)-2-fluorobenzonitrile |
Description: | 4-(3,5-Dichlorophenyl)-2-fluorobenzonitrile |
Molecular Weight: | 266.09 |
Molecular Formula: | C13H6Cl2FN |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C#N |
InChI: | InChI=1S/C13H6Cl2FN/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-6H |
InChI Key: | GJPFWSSBEJUZMV-UHFFFAOYSA-N |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.9861327 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.9861327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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