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
-2.7354 0.6615 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8560 -0.1696 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4711 -0.1253 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0298 0.7770 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3652 0.7430 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 -0.1585 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7593 -1.0723 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4424 -1.0548 0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0943 -0.1755 -1.0266 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4999 1.4252 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7949 0.6571 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1816 -0.9274 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6411 1.5282 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7435 1.4784 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4486 -1.8158 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0511 -1.7712 1.4792 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