Ethyl 5-Bromo-4-pyrimidinecarboxylate - CAS 64224-59-5
Catalog: |
BB032405 |
Product Name: |
Ethyl 5-Bromo-4-pyrimidinecarboxylate |
CAS: |
64224-59-5 |
Synonyms: |
5-bromo-4-pyrimidinecarboxylic acid ethyl ester; ethyl 5-bromopyrimidine-4-carboxylate |
IUPAC Name: | ethyl 5-bromopyrimidine-4-carboxylate |
Description: | Ethyl 5-Bromo-4-pyrimidinecarboxylate (CAS# 64224-59-5) is a useful research chemical. |
Molecular Weight: | 231.05 |
Molecular Formula: | C7H7BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=NC=NC=C1Br |
InChI: | InChI=1S/C7H7BrN2O2/c1-2-12-7(11)6-5(8)3-9-4-10-6/h3-4H,2H2,1H3 |
InChI Key: | GHOKOMYFAWORIY-UHFFFAOYSA-N |
LogP: | 1.41580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-101725292-B1 | Novel Pyrimidine-4-Carboxylic Acid Derivatives Having Anti-tumor Activity | 20160330 |
US-10494346-B2 | Substituted pyrimidine-4-carboxylic acids having anticancer activity | 20160330 |
US-2019135765-A1 | Novel pyrimidine-4-carboxylic acid derivative having anticancer activity | 20160330 |
WO-2017171421-A1 | Novel pyrimidine-4-carboxylic acid derivative having anticancer activity | 20160330 |
WO-2010110400-A1 | Heterocyclic compound | 20090326 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.96909 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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