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
-2.8041 -0.2829 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8803 0.5184 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4634 0.2296 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4587 1.2857 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8123 1.0944 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3436 -0.1405 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4680 -1.1768 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0835 -0.9830 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 -2.4765 -0.6364 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 -0.3954 -0.3826 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6220 -1.2745 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8346 0.0422 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1962 1.5442 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0470 2.2492 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5293 1.9139 0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8754 -2.1479 -0.6539 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