Ethyl 2-Chloropyrimidine-4-carboxylate - CAS 1196152-00-7
Catalog: |
BB004541 |
Product Name: |
Ethyl 2-Chloropyrimidine-4-carboxylate |
CAS: |
1196152-00-7 |
Synonyms: |
2-chloro-4-pyrimidinecarboxylic acid ethyl ester; ethyl 2-chloropyrimidine-4-carboxylate |
IUPAC Name: | ethyl 2-chloropyrimidine-4-carboxylate |
Description: | Ethyl 2-Chloropyrimidine-4-carboxylate (CAS# 1196152-00-7) is a useful research chemical. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | CCOC(=O)C1=NC(=NC=C1)Cl |
InChI: | InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3 |
InChI Key: | PWNAFFKEIJSHRD-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.30670 |
Publication Number | Title | Priority Date |
CN-111212834-A | Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors | 20171012 |
CA-3017395-A1 | Retinoid compound, preparation method therefor, intermediates thereof and application thereof | 20160311 |
EP-3428155-A1 | Retinoid compound, preparation method therefor, intermediates thereof and application thereof | 20160311 |
US-10556879-B2 | Retinoid compound, preparation method therefor, intermediates thereof and application thereof | 20160311 |
US-2019092744-A1 | Retinoid compound, preparation method therefor, intermediates thereof and application thereof | 20160311 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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