2-Chloro-4-(2-chloro-5-methylphenyl)benzonitrile - CAS 1355247-45-8
Catalog: |
BB069612 |
Product Name: |
2-Chloro-4-(2-chloro-5-methylphenyl)benzonitrile |
CAS: |
1355247-45-8 |
Synonyms: |
2-Chloro-4-(2-chloro-5-methylphenyl)benzonitrile; 2',3-Dichloro-5'-methyl[1,1'-biphenyl]-4-carbonitrile |
IUPAC Name: | 2-chloro-4-(2-chloro-5-methylphenyl)benzonitrile |
Description: | 2-Chloro-4-(2-chloro-5-methylphenyl)benzonitrile |
Molecular Weight: | 262.13 |
Molecular Formula: | C14H9Cl2N |
Canonical SMILES: | CC1=CC(=C(C=C1)Cl)C2=CC(=C(C=C2)C#N)Cl |
InChI: | InChI=1S/C14H9Cl2N/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-7H,1H3 |
InChI Key: | UTTJFFKVJIFHDH-UHFFFAOYSA-N |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0112047 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0112047 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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