Monomers
2,4-Dibromostyrene
Identifiers
IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.7343 -0.5709 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9147 0.4386 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 0.1997 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0890 -1.0420 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4815 -1.1959 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3461 -0.1269 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7655 1.1145 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4067 1.2851 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 3.0132 0.2528 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2192 -0.3984 -0.1120 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8196 -0.3778 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4605 -1.6064 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3203 1.4331 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5466 -1.9311 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8676 -2.2009 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4531 1.9659 0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers