2-Chloro-1-(3-fluoro-4-methoxyphenyl)ethanone - CAS 852389-09-4
Catalog: |
BB069398 |
Product Name: |
2-Chloro-1-(3-fluoro-4-methoxyphenyl)ethanone |
CAS: |
852389-09-4 |
Synonyms: |
2-chloro-1-(3-fluoro-4-methoxyphenyl)ethanone; 2-chloro-1-(3-fluoro-4-methoxyphenyl)ethan-1-one |
IUPAC Name: | 2-chloro-1-(3-fluoro-4-methoxyphenyl)ethanone |
Description: | 2-Chloro-1-(3-fluoro-4-methoxyphenyl)ethanone |
Molecular Weight: | 202.61 |
Molecular Formula: | C9H8ClFO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)CCl)F |
InChI: | InChI=1S/C9H8ClFO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4H,5H2,1H3 |
InChI Key: | UPNWCPIQVVOSHQ-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0196853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0196853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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