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
-2.8529 0.0481 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8681 -0.6592 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4563 -0.2772 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0184 0.8795 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3379 1.2161 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 0.4000 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8572 -0.7626 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 -1.0864 -0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1519 0.8599 0.0213 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6904 1.0026 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8550 -0.3125 0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1204 -1.5916 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7555 1.5388 0.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 2.1356 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6223 -1.3886 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -2.0024 -1.1484 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