| CAS Number | 7379-14-8 |
| Catalog Number | AG005KHW(AGN-PC-0NJ2FL) |
| Chemical Name | 2-CHLORO-1-CYCLOPROPYL-ETHANONE |
| IUPAC Name | 2-chloro-1-cyclopropylethanone |
| InChI | InChI=1S/C5H7ClO/c6-3-5(7)4-1-2-4/h4H,1-3H2 |
| InChI Key | ZXWAHROJUXWVCU-UHFFFAOYSA-N |
| MDL Number | MFCD19232150 |
| Molecular Formula | C5H7ClO |
| Molecular Weight | 118.5615 |
| SMILES | ClCC(=O)C1CC1 |
| Synonyms | 2-Chloro-1-cyclopropylethan-1-one,
7379-14-8,
2-CHLORO-1-CYCLOPROPYL-ETHANONE,
chloroacetyl-cyclopropane,
SCHEMBL1132078,
CTK5D8704,
DTXSID70499386,
ZXWAHROJUXWVCU-UHFFFAOYSA-N,
ZINC39054728,
AKOS006384446,
Ethanone,2-chloro-1-cyclopropyl-,
Ethanone, 2-chloro-1-cyclopropyl- (9CI),
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| Complexity | 86.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.56g/mol |
| Monoisotopic Mass | 118.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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