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
-0.8259 2.5063 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4126 1.3433 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0836 0.2884 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1740 0.4102 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1584 -0.6467 1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5845 -1.8315 1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 -1.9596 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3552 -0.9326 -0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0463 -3.2917 2.3722 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.9424 2.7396 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0646 3.2750 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3243 1.1969 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5084 1.3393 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0661 -0.4895 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0200 -2.9160 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 -1.0313 -2.0586 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