Basic information
- CAS
18859-35-3- Standard SMILES
CC(=O)COc1ccc(Cl)cc1- InChIKey
DFBZHQBJMFLYJF-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.02910721
Names & identifiers
- Preferred name
- 1-(4-Chlorophenoxy)acetone
- IUPAC
- 1-(4-chlorophenoxy)propan-2-one
- English name
- 1-(4-CHLOROPHENOXY)-2-PROPANONE
- Molecular formula
- C9H9ClO2
- Molecular weight
- 184.62
Names & synonyms
18859-35-31-(4-chlorophenoxy)propan-2-one1-(4-Chlorophenoxy)acetone1-(4-CHLOROPHENOXY)-2-PROPANONEMFCD066596902-Propanone, 1-(4-chlorophenoxy)-(4-Chlorophenoxy)acetoneNSC456534-chlorophenoxyacetone1-(4-Chlorophenoxy)acetone #SCHEMBL3370944DTXSID80940359
Show more names
1-(4-chlorophenoxy)-propan-2-oneALBB-026141NSC-45653SBB0728701-(4-Chloro-phenoxy)-propan-2-oneAKOS003405035AB26096LS-08863
Database identifiers
- CAS
18859-35-3- PubChem CID
- 239874
- DTXSID
DTXSID80940359- Nikkaji
- J599.799B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 147 · 147-148 °C(Press: 17 Torr)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
7 records
Compound notes
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