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
-2.8201 0.5199 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9401 -0.4383 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 -0.2306 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 -1.3195 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 -1.1673 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3243 0.0749 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4910 1.1599 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0986 1.0012 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2298 0.2606 -0.0969 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5020 1.5392 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8822 0.3321 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3087 -1.4538 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -2.2895 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 -2.0098 -0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9008 2.1553 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5367 1.8657 0.2245 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