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
-2.1834 -1.2066 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 -0.2349 -0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5216 0.0103 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3055 1.0821 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9657 1.3657 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0712 0.6399 0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8267 -0.4093 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5563 -0.7248 -0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8329 1.0640 1.4500 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.4374 -1.8646 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2095 -1.4169 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7155 0.3986 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1687 1.6753 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 2.2142 1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6734 -1.0203 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4133 -1.5726 -1.1673 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