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
2.8222 -0.4872 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9027 0.4495 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4695 0.1986 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0888 -1.0617 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4750 -1.2632 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 -0.1985 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 1.0658 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4303 1.2620 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3210 3.0176 -0.0863 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2437 -0.4356 -0.0264 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5198 -1.5182 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8857 -0.2275 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2417 1.4734 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5815 -1.9249 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 -2.2719 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4886 1.9219 -0.0799 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