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
2.7478 0.8241 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9464 -0.2113 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 -0.1659 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1879 0.9731 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.9680 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 -0.1875 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6127 -1.3277 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2460 -1.3260 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2077 -0.1974 0.4747 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8266 0.7487 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3436 1.7818 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4219 -1.1608 -0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3552 1.8874 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1016 1.8899 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1877 -2.2529 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2875 -2.2437 -0.5448 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