Ethyl 2-(2,4,6-Trichloro-5-pyrimidinyl)acetate - CAS 889944-72-3
Catalog: |
BB039304 |
Product Name: |
Ethyl 2-(2,4,6-Trichloro-5-pyrimidinyl)acetate |
CAS: |
889944-72-3 |
Synonyms: |
2-(2,4,6-trichloro-5-pyrimidinyl)acetic acid ethyl ester; ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate |
IUPAC Name: | ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate |
Description: | Ethyl 2-(2,4,6-Trichloro-5-pyrimidinyl)acetate (CAS# 889944-72-3) is a useful research chemical. |
Molecular Weight: | 269.51 |
Molecular Formula: | C8H7Cl3N2O2 |
Canonical SMILES: | CCOC(=O)CC1=C(N=C(N=C1Cl)Cl)Cl |
InChI: | InChI=1S/C8H7Cl3N2O2/c1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10/h2-3H2,1H3 |
InChI Key: | BBZKVKDEGXYGDA-UHFFFAOYSA-N |
Appearance: | Pale-yellow to yellow-brown sticky oil to semi-solid |
MDL: | MFCD07776806 |
LogP: | 2.54240 |
Publication Number | Title | Priority Date |
WO-2020113178-A1 | Aromatic compounds for use in activating hematopoietic stem and progenitor cells | 20181130 |
EP-3887364-A1 | Aromatic compounds for use in activating hematopoietic stem and progenitor cells | 20181130 |
KR-20210110797-A | Aromatic compounds for use in the activation of hematopoietic stem and progenitor cells | 20181130 |
EP-3484884-A1 | Fused pyrimidine derivatives | 20160714 |
JP-2019520395-A | Fused pyrimidine derivative | 20160714 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.957311 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.957311 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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