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
-2.6888 -0.8120 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9227 0.2392 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4732 0.1461 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2210 -1.0372 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6003 -1.0900 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3103 0.0853 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 1.2746 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2493 1.3067 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6630 2.9870 0.3202 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2334 0.0222 0.1760 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7748 -0.7270 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3217 -1.8228 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4174 1.2061 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 -1.9698 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 -2.0141 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 2.2057 0.3449 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