4-(3-Chloro-1-ethoxypropyl)toluene
Basic information
- CAS
83949-36-4- Standard SMILES
CCOC(CCCl)c1ccc(C)cc1- InChIKey
NDNQMUPOOPOMJK-UHFFFAOYSA-N- Molecular formula
- C12H17ClO
- Average molar mass
- 212.71 g/mol
- Monoisotopic mass
- 212.0967929
Names & identifiers
- Preferred name
- 4-(3-Chloro-1-ethoxypropyl)toluene
- IUPAC
- 1-(3-chloro-1-ethoxypropyl)-4-methylbenzene
- English name
- 4-(3-chloro-1-ethoxypropyl)toluene
- Molecular formula
- C12H17ClO
- Molecular weight
- 212.72
Names & synonyms
83949-36-41-(3-chloro-1-ethoxypropyl)-4-methylbenzene4-(3-Chloro-1-ethoxypropyl)tolueneEINECS 281-395-9NSC62699NDNQMUPOOPOMJK-UHFFFAOYSA-NDTXSID701260519NSC 62699NSC-62699NS00060440Benzene, 1-(3-chloro-1-ethoxypropyl)-4-methyl-
Database identifiers
- CAS
83949-36-4- PubChem CID
- 97968
- DTXSID
DTXSID701260519- EC Number
- 281-395-9
- Nikkaji
- J296.280B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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