4-(Benzyloxy)picolinonitrile - CAS 100382-00-1
Catalog: |
BB061682 |
Product Name: |
4-(Benzyloxy)picolinonitrile |
CAS: |
100382-00-1 |
Synonyms: |
4-(Benzyloxy)picolinonitrile; 4-phenylmethoxypyridine-2-carbonitrile; 4-(Benzyloxy)pyridine-2-carbonitrile; 4-Benzyloxy-2-cyanopyridine |
IUPAC Name: | 4-phenylmethoxypyridine-2-carbonitrile |
Description: | 4-(Benzyloxy)picolinonitrile |
Molecular Weight: | 210.23 |
Molecular Formula: | C13H10N2O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC(=NC=C2)C#N |
InChI: | InChI=1S/C13H10N2O/c14-9-12-8-13(6-7-15-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2 |
InChI Key: | KHDORVLVNIOXJY-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.079312947 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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