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
-2.7776 -0.6233 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9213 0.3596 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4811 0.1731 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1427 -1.0292 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 -1.1715 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3439 -0.0755 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7405 1.1410 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3715 1.2717 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 2.9826 0.5560 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2441 -0.2501 -0.1780 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8467 -0.4336 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4643 -1.6423 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3064 1.3482 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 -1.9080 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9679 -2.1592 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3815 2.0167 0.2922 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