2-Chloro-4-(2-methylphenyl)benzonitrile - CAS 1349059-34-2
Catalog: |
BB069343 |
Product Name: |
2-Chloro-4-(2-methylphenyl)benzonitrile |
CAS: |
1349059-34-2 |
Synonyms: |
2-Chloro-4-(2-methylphenyl)benzonitrile;3-Chloro-2'-methyl[1,1'-biphenyl]-4-carbonitrile |
IUPAC Name: | 2-chloro-4-(2-methylphenyl)benzonitrile |
Description: | 2-Chloro-4-(2-methylphenyl)benzonitrile |
Molecular Weight: | 227.69 |
Molecular Formula: | C14H10ClN |
Canonical SMILES: | CC1=CC=CC=C1C2=CC(=C(C=C2)C#N)Cl |
InChI: | InChI=1S/C14H10ClN/c1-10-4-2-3-5-13(10)11-6-7-12(9-16)14(15)8-11/h2-8H,1H3 |
InChI Key: | HDLHZNJTQIZTOX-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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