2-(3-Chloro-4-fluorophenyl)benzonitrile - CAS 1352318-35-4
Catalog: |
BB069424 |
Product Name: |
2-(3-Chloro-4-fluorophenyl)benzonitrile |
CAS: |
1352318-35-4 |
Synonyms: |
2-(3-Chloro-4-fluorophenyl)benzonitrile |
IUPAC Name: | 2-(3-chloro-4-fluorophenyl)benzonitrile |
Description: | 2-(3-Chloro-4-fluorophenyl)benzonitrile |
Molecular Weight: | 231.65 |
Molecular Formula: | C13H7ClFN |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)C2=CC(=C(C=C2)F)Cl |
InChI: | InChI=1S/C13H7ClFN/c14-12-7-9(5-6-13(12)15)11-4-2-1-3-10(11)8-16/h1-7H |
InChI Key: | MVUUUJVDXYEMKT-UHFFFAOYSA-N |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0251051 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0251051 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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