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
2.7845 0.3195 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8550 -0.6039 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 -0.3006 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4686 -1.3276 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8336 -1.1167 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3103 0.1507 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4362 1.2086 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0672 0.9620 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0924 2.9858 0.4096 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8378 0.0765 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 1.3634 0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 -1.6303 -0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1236 -2.3521 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5552 -1.9345 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3741 0.3895 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5970 1.8097 0.2398 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