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
2.6078 -0.7442 0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9298 0.1132 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4860 0.1443 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1414 1.1074 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5121 1.1393 -0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2727 0.2918 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6606 -0.6529 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2789 -0.7008 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 -1.8592 1.7527 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.7093 -0.7673 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1214 -1.4504 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 0.8034 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4283 1.7881 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 1.8949 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3666 0.3498 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1750 -1.4573 1.2564 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