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
-2.8368 0.0307 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8050 -0.7469 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4040 -0.2672 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0813 1.0411 0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2477 1.4743 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2445 0.5585 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9395 -0.7632 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6291 -1.1509 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3642 -2.0144 -0.5922 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8341 -0.4255 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7607 1.0958 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9675 -1.7932 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8646 1.7582 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4323 2.5146 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2878 0.8874 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4090 -2.1992 -0.4762 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