4-Chloro-5-methoxypyrimidine - CAS 695-85-2
Catalog: |
BB033876 |
Product Name: |
4-Chloro-5-methoxypyrimidine |
CAS: |
695-85-2 |
Synonyms: |
4-chloro-5-methoxypyrimidine; 4-chloro-5-methoxypyrimidine |
IUPAC Name: | 4-chloro-5-methoxypyrimidine |
Description: | 4-Chloro-5-methoxypyrimidine (CAS# 695-85-2) is a useful research chemical. |
Molecular Weight: | 144.56 |
Molecular Formula: | C5H5ClN2O |
Canonical SMILES: | COC1=CN=CN=C1Cl |
InChI: | InChI=1S/C5H5ClN2O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3 |
InChI Key: | CTMIYYREUVYVEL-UHFFFAOYSA-N |
Boiling Point: | 221.9 °C at 760 mmHg |
Density: | 1.292 g/cm3 |
MDL: | MFCD09966063 |
LogP: | 1.13860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P304+P340, P305+P351+P338, P310, P312, P330, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020061150-A1 | O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors | 20180919 |
TW-202031651-A | O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors | 20180919 |
CN-113166137-A | O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors | 20180919 |
EP-3853226-A1 | O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors | 20180919 |
KR-20210060513-A | O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitor | 20180919 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.0090405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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