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
-2.7717 -0.5910 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 0.3590 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4699 0.1671 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1305 -1.0522 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 -1.1559 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3058 -0.0913 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 1.1350 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 1.2350 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4310 2.9358 -0.6014 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2184 -0.2773 -0.2740 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4282 -1.5902 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8238 -0.3682 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 1.3603 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4491 -1.9334 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9809 -2.1241 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3556 1.9913 -0.6176 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