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
-2.7888 0.2091 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8401 -0.6257 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4411 -0.2567 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 0.9451 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2781 1.1971 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2793 0.3140 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8624 -0.8867 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5392 -1.1818 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1342 0.7282 -0.4968 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6491 1.1803 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8298 -0.1145 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1007 -1.5950 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8108 1.7106 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5959 2.1648 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6144 -1.6357 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2267 -2.1530 0.9015 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