(3-Chloro-1-(1-methylethoxy)propyl)benzene
Basic information
- CAS
6965-76-0- Standard SMILES
CC(C)OC(CCCl)c1ccccc1- InChIKey
TZGSPUYRMKYMEN-UHFFFAOYSA-N- Molecular formula
- C12H17ClO
- Average molar mass
- 212.71 g/mol
- Monoisotopic mass
- 212.0967929
Names & identifiers
- Preferred name
- (3-Chloro-1-(1-methylethoxy)propyl)benzene
- IUPAC
- (3-chloro-1-propan-2-yloxypropyl)benzene
- English name
- [3-chloro-1-(1-methylethoxy)propyl]benzene
- Molecular formula
- C12H17ClO
- Molecular weight
- 212.71578
Names & synonyms
6965-76-0[3-Chloro-1-(1-methylethoxy)propyl]benzeneEINECS 230-171-9(3-Chloro-1-(1-methylethoxy)propyl)benzeneNSC 63372RefChem:69103230-171-9(3-chloro-1-isopropoxypropyl)benzeneNSC633723-Isopropoxy-3-Phenylpropyl Chloridestarbld0012646SCHEMBL6297391
Show more names
3-isopropyl-3-phenyl-1- chloropropane(3-chloro-1-propan-2-yloxypropyl)benzeneBenzene, [3-chloro-1-(1-methylethoxy)propyl]-
TZGSPUYRMKYMEN-UHFFFAOYSA-NDTXSID101264537NSC-63372AKOS024332280NS00043737{3-Chloro-1-[(propan-2-yl)oxy]propyl}benzene
Database identifiers
- CAS
6965-76-0- PubChem CID
- 97972
- DTXSID
DTXSID101264537- EC Number
- 230-171-9
- Nikkaji
- J266.009A
Properties
Computed structural properties
- XLogP
- 3.4
- 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
Physicochemical properties
- Boiling point
- 270.8 · 270.8±20.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
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Compound notes
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