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
-2.6710 0.7319 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9233 -0.3189 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 -0.2092 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2701 -1.3544 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6177 -1.2953 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 -0.0783 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5181 1.0558 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1459 0.9916 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1394 0.0175 -0.8804 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 0.6304 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 1.7242 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4060 -1.3181 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2470 -2.3122 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2159 -2.1790 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0122 1.9972 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 1.9169 0.1943 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