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
2.7145 -0.4080 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6272 0.1865 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 0.0864 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2232 -0.6062 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9619 -0.6830 1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0550 -0.0229 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 0.6998 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 0.7493 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4844 1.6141 -0.8263 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.7182 -0.9812 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6169 -0.3232 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 0.7640 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0567 -1.1340 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0845 -1.2308 2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0330 -0.0296 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6697 1.3188 -1.7404 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