4-(3-Formyl-5-methoxyphenyl)benzonitrile - CAS 1445322-53-1
Catalog: |
BB064565 |
Product Name: |
4-(3-Formyl-5-methoxyphenyl)benzonitrile |
CAS: |
1445322-53-1 |
Synonyms: |
4-(3-FORMYL-5-METHOXYPHENYL)BENZONITRILE; [1,1'-Biphenyl]-4-carbonitrile, 3'-formyl-5'-methoxy- |
IUPAC Name: | 4-(3-formyl-5-methoxyphenyl)benzonitrile |
Description: | 4-(3-Formyl-5-methoxyphenyl)benzonitrile |
Molecular Weight: | 237.25 |
Molecular Formula: | C15H11NO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)C2=CC=C(C=C2)C#N)C=O |
InChI: | InChI=1S/C15H11NO2/c1-18-15-7-12(10-17)6-14(8-15)13-4-2-11(9-16)3-5-13/h2-8,10H,1H3 |
InChI Key: | LVXFKBMXLFGVKJ-UHFFFAOYSA-N |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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