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
-2.1480 -1.2025 -1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8730 -0.2325 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 0.0305 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 -0.7224 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8212 -0.4391 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 0.6099 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9327 1.3772 1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 1.0909 0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7701 0.9913 1.6430 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.3956 -1.8717 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1783 -1.3296 -1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6771 0.4105 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4453 -1.5587 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6757 -1.0390 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0978 2.1991 1.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1846 1.6861 1.0474 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