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
2.6468 1.0034 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9051 -0.0424 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4794 -0.1494 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -1.3171 0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 -1.4625 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 -0.4558 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 0.6997 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2565 0.8433 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6068 2.0968 -1.5173 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 1.0615 0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1813 1.8482 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4333 -0.8806 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3838 -2.1003 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0773 -2.3726 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3374 -0.5423 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2238 1.7700 -0.7053 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