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
-2.7426 0.7020 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9203 -0.3150 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4917 -0.1951 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2899 -1.3320 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6647 -1.2917 0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -0.0817 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5168 1.0420 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1304 1.0201 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2137 0.0230 0.3103 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8233 0.5707 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3630 1.6946 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3904 -1.3112 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2384 -2.2978 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 -2.2070 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 2.0085 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4166 1.9705 0.0317 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