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
2.8724 0.1592 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8348 -0.6345 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4339 -0.2702 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5038 -1.1816 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 -0.8973 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3406 0.2805 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4409 1.1824 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0685 0.8903 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 2.1968 1.2906 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2148 0.6687 0.0124 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8785 -0.2695 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7399 1.2168 -0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0412 -1.7286 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -2.1176 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 -1.6089 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8202 2.1136 0.9196 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