Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=C1)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Br
Heavy Atom Count
9
Molecular Weight
183.048
Exact Molecular Weight
181.9731
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
3.0921
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
2.7249 0.9256 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9173 -0.0119 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4950 -0.0834 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2589 -1.1253 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6151 -1.2531 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2836 -0.3425 -0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5581 0.6955 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1848 0.8198 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1357 -0.5862 -0.6022 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.3199 1.6963 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7765 0.9599 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3650 -0.7689 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2726 -1.8540 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1150 -2.1065 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0770 1.3992 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.6355 -1.0382 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
6 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers