Monomers
3-Bromostyrene
Identifiers
IUPAC name
1-bromo-3-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Br
Canonical SMILES
C=CC1=CC(=CC=C1)Br
Isomeric SMILES
C=CC1=CC(=CC=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
2.6089 0.8950 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9137 -0.2076 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4655 -0.1887 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1528 -1.4396 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -1.4724 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2574 -0.3273 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6724 0.9104 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2763 0.9495 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6608 2.5144 0.5233 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1604 1.8533 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6930 0.8790 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4630 -1.1427 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4158 -2.3469 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 -2.4321 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3535 -0.3593 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 1.9150 0.2363 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers