5-(Benzyloxy)-2-pyrimidinecarbonitrile - CAS 166672-22-6
Catalog: |
BB012301 |
Product Name: |
5-(Benzyloxy)-2-pyrimidinecarbonitrile |
CAS: |
166672-22-6 |
Synonyms: |
5-phenylmethoxy-2-pyrimidinecarbonitrile; 5-phenylmethoxypyrimidine-2-carbonitrile |
IUPAC Name: | 5-phenylmethoxypyrimidine-2-carbonitrile |
Description: | 5-(Benzyloxy)-2-pyrimidinecarbonitrile (CAS# 166672-22-6) is a useful research chemical compound. |
Molecular Weight: | 211.22 |
Molecular Formula: | C12H9N3O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CN=C(N=C2)C#N |
InChI: | InChI=1S/C12H9N3O/c13-6-12-14-7-11(8-15-12)16-9-10-4-2-1-3-5-10/h1-5,7-8H,9H2 |
InChI Key: | IGWUAUDJTKKCAB-UHFFFAOYSA-N |
LogP: | 1.92728 |
Publication Number | Title | Priority Date |
CN-103880757-A | Synthesis method for 5-hydroxyl pyrimidine-2-carboxylic acid | 20140415 |
CN-103880757-B | A kind of synthetic method of 5-hydroxy pyrimidine-2-carboxylic acid | 20140415 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.074561919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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