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
2.7434 0.6920 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9139 -0.1608 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4695 -0.1604 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 -1.1204 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6848 -1.1444 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3417 -0.2340 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 0.7197 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2006 0.7424 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4324 2.0124 1.8956 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.3673 1.4526 0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8248 0.6478 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -0.9165 -1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2004 -1.8429 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2592 -1.9027 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4219 -0.2874 0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3847 1.5028 1.1274 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