Ethyl 2-(5-Bromo-2-pyrimidinyl)acetate - CAS 1134327-91-5
Catalog: |
BB003173 |
Product Name: |
Ethyl 2-(5-Bromo-2-pyrimidinyl)acetate |
CAS: |
1134327-91-5 |
Synonyms: |
2-(5-bromo-2-pyrimidinyl)acetic acid ethyl ester; ethyl 2-(5-bromopyrimidin-2-yl)acetate |
IUPAC Name: | ethyl 2-(5-bromopyrimidin-2-yl)acetate |
Description: | Ethyl 2-(5-Bromo-2-pyrimidinyl)acetate (CAS# 1134327-91-5) is a useful research chemical. |
Molecular Weight: | 245.07 |
Molecular Formula: | C8H9BrN2O2 |
Canonical SMILES: | CCOC(=O)CC1=NC=C(C=N1)Br |
InChI: | InChI=1S/C8H9BrN2O2/c1-2-13-8(12)3-7-10-4-6(9)5-11-7/h4-5H,2-3H2,1H3 |
InChI Key: | WJXDNGKSVNQDBZ-UHFFFAOYSA-N |
Boiling Point: | 295.9 °C at 760 mmHg |
Density: | 1.518 g/cm3 |
MDL: | MFCD09909703 |
LogP: | 1.34470 |
Publication Number | Title | Priority Date |
WO-2020109190-A1 | Tricyclic compounds for the treatment and prophylaxis of bacterial infection | 20181127 |
CN-113166145-A | Tricyclic compounds for the treatment and prevention of bacterial infections | 20181127 |
EP-3887370-A1 | Tricyclic compounds for the treatment and prophylaxis of bacterial infection | 20181127 |
US-2021309657-A1 | Tricyclic compounds for the treatment and prophylaxis of bacterial infection | 20181127 |
WO-2020085234-A1 | Morphinan derivative | 20181022 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.98474 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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