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
2.4672 -0.8924 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9101 -0.4967 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5076 -0.1012 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0372 0.3168 -1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3568 0.6976 -1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2076 0.6916 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.2824 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3459 -0.1061 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8412 0.2671 2.3036 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.9326 -0.9485 1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5121 -1.1835 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5037 -0.4582 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6269 0.3249 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7729 1.0225 -2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2356 1.0004 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0164 -0.4166 1.8696 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