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
-2.8199 0.2660 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8872 -0.5993 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 -0.2497 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0128 0.9947 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3833 1.2818 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2578 0.2721 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8230 -0.9886 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 -1.2350 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1440 0.6051 -0.0924 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5796 1.2699 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8546 -0.0249 0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2000 -1.6268 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6712 1.7912 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7709 2.2581 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5338 -1.7863 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0889 -2.2283 -0.6147 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