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
-2.7625 -0.5393 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8933 0.4143 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4653 0.1930 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0647 -1.0407 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4483 -1.1963 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3245 -0.1470 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7900 1.0933 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4463 1.2451 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3030 2.9615 0.5972 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2244 -0.3990 -0.2704 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8318 -0.3135 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5493 -1.5634 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2553 1.4156 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5889 -1.8854 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8639 -2.1642 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4874 1.9260 0.2665 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