1-(6-Chloro-5-fluoro-4-pyrimidinyl)ethanone - CAS 1289559-80-3
Catalog: |
BB006954 |
Product Name: |
1-(6-Chloro-5-fluoro-4-pyrimidinyl)ethanone |
CAS: |
1289559-80-3 |
Synonyms: |
1-(6-chloro-5-fluoro-4-pyrimidinyl)ethanone; 1-(6-chloro-5-fluoropyrimidin-4-yl)ethanone |
IUPAC Name: | 1-(6-chloro-5-fluoropyrimidin-4-yl)ethanone |
Description: | 1-(6-Chloro-5-fluoro-4-pyrimidinyl)ethanone (CAS# 1289559-80-3 ) is a useful research chemical. |
Molecular Weight: | 174.56 |
Molecular Formula: | C6H4ClFN2O |
Canonical SMILES: | CC(=O)C1=C(C(=NC=N1)Cl)F |
InChI: | InChI=1S/C6H4ClFN2O/c1-3(11)5-4(8)6(7)10-2-9-5/h2H,1H3 |
InChI Key: | IOFAFCXLTPCPPS-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9996186 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9996186 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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