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
-2.7887 0.3801 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9227 -0.3758 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 -0.1818 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3956 -1.0271 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7597 -0.8962 -0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3180 0.0917 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4505 0.9149 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0613 0.7999 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2071 0.3125 0.1804 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4991 1.1835 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8480 0.2126 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2904 -1.1846 -0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0436 -1.8082 -1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3874 -1.5835 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8739 1.6883 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5734 1.4737 1.1883 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