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
-2.8287 0.2530 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 -0.4314 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4390 -0.1909 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4119 -1.2975 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7913 -1.1483 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3287 0.1057 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5059 1.1999 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1231 1.0243 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9013 2.6160 0.3811 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2266 0.2306 0.4233 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7032 1.1059 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8797 -0.0471 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1942 -1.2964 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0071 -2.2841 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4323 -2.0055 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 2.1657 0.5449 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