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
-2.8409 -0.1318 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8454 0.7105 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 0.3276 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0663 -0.9931 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -1.3667 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2771 -0.4091 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 0.9179 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5602 1.2746 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1272 -0.9310 -0.0310 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -1.1966 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8711 0.1955 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1035 1.7795 0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7778 -1.8044 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5842 -2.4001 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6428 1.7051 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2629 2.3220 0.0433 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