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
-2.7890 0.6193 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9437 -0.3651 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5060 -0.1868 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3226 -1.2911 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6940 -1.2006 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3165 -0.0269 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5186 1.0636 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1243 0.9741 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2287 0.1003 0.2933 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8592 0.5155 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4069 1.5735 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 -1.3353 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1682 -2.2211 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3296 -2.0535 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9762 1.9952 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4780 1.8388 0.4748 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