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
-2.8626 -0.1091 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8110 0.4362 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4158 0.1921 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5136 1.2442 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 1.0694 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3207 -0.1620 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4504 -1.1980 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0857 -1.0252 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0767 -2.5554 0.3886 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2154 -0.3823 0.5014 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7942 -0.8587 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8876 0.1855 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 1.2071 -1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0782 2.1993 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 1.9194 -0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 -2.1626 0.6728 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