3-Chloro-1-cyclohexylpropan-1-one
Basic information
- CAS
13487-73-5- Standard SMILES
O=C(CCCl)C1CCCCC1- InChIKey
XMGIRPAJBZYJDE-UHFFFAOYSA-N- Molecular formula
- C9H15ClO
- Average molar mass
- 174.67 g/mol
- Monoisotopic mass
- 174.0811428
Names & identifiers
- Preferred name
- 3-Chloro-1-cyclohexylpropan-1-one
- IUPAC
- 3-chloro-1-cyclohexylpropan-1-one
- English name
- 3-chloro-1-cyclohexylpropan-1-one
- Molecular formula
- C9H15ClO
- Molecular weight
- 174.67
Names & synonyms
3-Chloro-1-cyclohexylpropan-1-one13487-73-5EINECS 236-801-93-Chloro-1-cyclohexyl-1-propanoneK69VXZ3MXC2-Chloroethyl cyclohexyl ketoneSCHEMBL10975907DTXSID80159005XMGIRPAJBZYJDE-UHFFFAOYSA-N1-Propanone, 3-chloro-1-cyclohexyl-NS000243631-Cyclohexyl-3-chloro-1-propanone
Database identifiers
- CAS
13487-73-5- PubChem CID
- 83529
- DTXSID
DTXSID80159005- UNII
- K69VXZ3MXC
- EC Number
- 236-801-9
- Nikkaji
- J241.141E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- FDA UNII
- 69 VXZ3MXC · K69VXZ3MXC
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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