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
-2.6059 -1.1033 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9413 0.0101 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4985 0.0788 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2868 -0.9814 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 -0.8356 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 0.3531 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5376 1.4254 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1790 1.2814 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 2.7741 -0.8738 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.1921 0.5397 0.4660 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.1811 -2.0410 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6933 -1.1369 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4732 0.8848 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2011 -1.9308 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2432 -1.6779 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0605 2.3594 -0.3355 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