2-Allyloxy-1,3,5-tribromobenzene
Product Information
Molecular Formula
C9H7Br3O
Molecular Weight
370.86
Description
2-Allyloxy-1,3,5-tribromobenzene is a specialized organic compound mainly used in the biomedical field for cancer research. It aids in the synthesis of drugs designed to inhibit cancer cell growth and division, especially in combating breast and lung cancer.
Synonyms
1,3,5-tribromo-2-(2-propenyloxy)-benzen; Benzene,1,3,5-tribromo-2-(2-propenyloxy); TRIBROMOPHENYL ALLYL ETHER; ALLYL 2,4,6-TRIBROMOPHENYL ETHER; ALLYL TRIBROMOPHENYL ETHER; 2-allyloxy-1,3,5-tribromobenzene
IUPAC Name
1,3,5-tribromo-2-prop-2-enoxybenzene
SMILES
C=CCOC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2
InChI Key
RZLLIOPGUFOWOD-UHFFFAOYSA-N
Boiling Point
339.5°C at 760mmHg
Melting Point
74-76°C
Flash Point
Not applicable
Purity
95%
Density
1.95g/cm3
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
369.80265 g/mol
Monoisotopic Mass
367.80470 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
162
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
