Ethyl 5-Chloropyrimidine-2-carboxylate - CAS 1227571-82-5
Catalog: |
BB005486 |
Product Name: |
Ethyl 5-Chloropyrimidine-2-carboxylate |
CAS: |
1227571-82-5 |
Synonyms: |
5-chloro-2-pyrimidinecarboxylic acid ethyl ester; ethyl 5-chloropyrimidine-2-carboxylate |
IUPAC Name: | ethyl 5-chloropyrimidine-2-carboxylate |
Description: | Ethyl 5-Chloropyrimidine-2-carboxylate (CAS# 1227571-82-5) is a useful research chemical. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | CCOC(=O)C1=NC=C(C=N1)Cl |
InChI: | InChI=1S/C7H7ClN2O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2H2,1H3 |
InChI Key: | XKLJHMDAGGXAMJ-UHFFFAOYSA-N |
LogP: | 1.30670 |
Complexity: | 158 |
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: | 0.3 |
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