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
2.8361 0.4396 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9317 -0.4467 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4914 -0.2305 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0654 0.9472 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4499 1.1176 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3172 0.1212 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7714 -1.0569 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 -1.2204 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2186 0.3749 -0.1321 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.5302 1.4035 -0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8871 0.1689 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -1.4039 0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5607 1.7649 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9011 2.0330 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4202 -1.8615 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0449 -2.1507 0.8413 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