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
-1.3076 -2.3490 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5202 -1.8618 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 -0.5071 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1625 -0.2900 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6271 0.9742 0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9431 2.0830 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2659 1.9050 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7568 0.6108 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4660 0.5336 -1.2922 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.6028 3.8569 0.6847 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -1.7372 -1.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6037 -3.3940 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 -2.6108 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7582 -1.1539 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5875 1.1526 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8072 2.7876 -0.5415 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