2-(3-Chloro-4-methylphenyl)benzonitrile - CAS 442670-45-3
Catalog: |
BB069377 |
Product Name: |
2-(3-Chloro-4-methylphenyl)benzonitrile |
CAS: |
442670-45-3 |
Synonyms: |
2-(3-Chloro-4-methylphenyl)benzonitrile; 3'-Chloro-4'-methyl-[1,1'-biphenyl]-2-carbonitrile; 3'-CHLORO-4'-METHYL-2-BIPHENYLCARBONITRILE; 3-CHLORO-4-METHYL-2-BIPHENYLCARBONITRILE |
IUPAC Name: | 2-(3-chloro-4-methylphenyl)benzonitrile |
Description: | 2-(3-Chloro-4-methylphenyl)benzonitrile |
Molecular Weight: | 227.69 |
Molecular Formula: | C14H10ClN |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=CC=CC=C2C#N)Cl |
InChI: | InChI=1S/C14H10ClN/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-8H,1H3 |
InChI Key: | AAJAXMNFOFJPKC-UHFFFAOYSA-N |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.050177 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.050177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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