| CAS Number | 13045-13-1 |
| Catalog Number | AG000UFS(AGN-PC-0L53H9) |
| Chemical Name | 3-Chloro-5-Hydroxypentan-2-One |
| IUPAC Name | 3-chloro-5-hydroxypentan-2-one |
| InChI | InChI=1S/C5H9ClO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3 |
| InChI Key | FYWDUQCSMYWUHV-UHFFFAOYSA-N |
| MDL Number | MFCD12401226 |
| Molecular Formula | C5H9ClO2 |
| Molecular Weight | 136.5768 |
| SMILES | CC(=O)C(CCO)Cl |
| Synonyms | 3-CHLORO-5-HYDROXY-2-PENTANONE,
13045-13-1,
3-chloro-5-hydroxypentan-2-one,
3-chloro-3-acetylpropanol,
AC1N3G2S,
SCHEMBL585068,
3-acetyl-3-chloro-1-propanol,
CTK4B6728,
DTXSID10399159,
FYWDUQCSMYWUHV-UHFFFAOYSA-N,
2-Pentanone, 3-chloro-5-hydroxy-,
3-CHLORO-4-OXO-1-PENTANOL,
MFCD00087535,
AKOS016009814,
MCULE-1606704903,
AS-40218,
X4477,
C5H9ClO2,
3-chloro-5-hydroxy-pentan-2-one,
CID4086860,
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| Complexity | 82.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.575g/mol |
| Monoisotopic Mass | 136.029g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number