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
2.8371 0.3078 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8727 -0.2115 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4616 -0.1118 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 -1.1581 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7390 -1.1328 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 -0.0851 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5659 0.9463 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 0.9254 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8042 2.4277 1.0022 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.2563 -0.0686 0.4715 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7225 0.8921 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 0.1838 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1610 -0.7815 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1238 -1.9771 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3584 -1.9542 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0238 1.7975 1.1275 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