3-Chloro-2-(chloromethyl)-1-phenyl-1-propanone - CAS 39192-57-9
Catalog: |
BB023875 |
Product Name: |
3-Chloro-2-(chloromethyl)-1-phenyl-1-propanone |
CAS: |
39192-57-9 |
Synonyms: |
3-chloro-2-(chloromethyl)-1-phenyl-1-propanone; 3-chloro-2-(chloromethyl)-1-phenylpropan-1-one |
IUPAC Name: | 3-chloro-2-(chloromethyl)-1-phenylpropan-1-one |
Description: | 3-Chloro-2-(chloromethyl)-1-phenyl-1-propanone (CAS# 39192-57-9 ) is a useful research chemical. |
Molecular Weight: | 217.09 |
Molecular Formula: | C10H10Cl2O |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C(CCl)CCl |
InChI: | InChI=1S/C10H10Cl2O/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
InChI Key: | SJJAYVWBFICAEB-UHFFFAOYSA-N |
LogP: | 2.96310 |
Publication Number | Title | Priority Date |
AU-2017284172-A1 | FXR (NR1H4) modulating compounds | 20160613 |
AU-2017284172-B2 | FXR (NR1H4) modulating compounds | 20160613 |
CA-3026498-A1 | Fxr (nr1h4) modulating compounds | 20160613 |
EP-3468977-A1 | Fxr (nr1h4) modulating compounds | 20160613 |
JP-2019521977-A | FXR (NR1H4) modulating compound | 20160613 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0108703 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0108703 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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