MF: C12H13ClO
MW: 208.68
CAS: 91393-49-6
EINECS:679-869-9
Boiling point:345.7±42.0 °C(Predicted)
Density:1.584±0.06 g/cm3(Predicted)
Solubility:Chloroform: Soluble; DMSO: 1 mg/mL*; Ethanol: 1 mg/mL
InChI:InChI=1S/C10H9BrO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3
InChIKey:NTPQGLLTGPTOAA-UHFFFAOYSA-N
SMILES:C(C1=CC=C2OCOC2=C1)(=O)C(Br)C
Melting point:60-62 °C
Boiling point:308.8±42.0 °C(Predicted)
Density:L1.165±0.06 g/cm3(Predicted)
InChl:InChI=1S/C12H13ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,10H,2,4,6,8H2
InChIKey:UOEXWLLNMGAJDD-UHFFFAOYSA-N
SMILES:C1(=O)CCCCC1C1=CC=CC=C1Cl