Methyl 2-Cyano-6-fluorobenzoate - CAS 58332-01-7
Catalog: |
BB030006 |
Product Name: |
Methyl 2-Cyano-6-fluorobenzoate |
CAS: |
58332-01-7 |
Synonyms: |
2-cyano-6-fluorobenzoic acid methyl ester; methyl 2-cyano-6-fluorobenzoate |
IUPAC Name: | methyl 2-cyano-6-fluorobenzoate |
Description: | Methyl 2-Cyano-6-fluorobenzoate (CAS# 58332-01-7) is a useful research chemical. |
Molecular Weight: | 179.15 |
Molecular Formula: | C9H6FNO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC=C1F)C#N |
InChI: | InChI=1S/C9H6FNO2/c1-13-9(12)8-6(5-11)3-2-4-7(8)10/h2-4H,1H3 |
InChI Key: | TXKFIBYLMLSSBI-UHFFFAOYSA-N |
LogP: | 1.48398 |
Publication Number | Title | Priority Date |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
AU-2016281225-A1 | Substituted dihydropyrrolopyrazole derivative | 20150615 |
CA-2989519-A1 | Substituted dihydropyrrolopyrazole derivative | 20150615 |
EP-3309163-A1 | Substituted dihydropyrrolopyrazole derivative | 20150615 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0382566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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