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
-2.6885 0.8960 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8326 0.0352 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 -0.0731 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4018 -1.0243 0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6923 -1.1547 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2065 -0.3711 -0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3607 0.5663 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0453 0.7040 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0096 -0.5758 -1.2430 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4180 1.5635 -0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6883 0.9532 0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1400 -0.6269 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -1.6491 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 -1.9000 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7399 1.2012 -1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5822 1.4556 -1.1822 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