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
2.6356 -0.9477 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9342 0.1220 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 0.1138 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2148 -1.0012 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 -0.9367 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3279 0.1972 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6142 1.3106 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2412 1.2762 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7715 2.8137 -0.8936 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2290 0.2737 0.2129 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1858 -1.8594 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7335 -0.9259 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 1.0594 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2780 -1.9265 0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1129 -1.8263 0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1081 2.2573 -0.5270 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