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
-2.8019 -0.0484 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7950 -0.4919 0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4267 -0.1742 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1117 0.5998 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2090 0.8648 -1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2662 0.3931 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9169 -0.3829 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6163 -0.6653 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3403 -1.0850 1.7666 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.8487 -0.2815 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6900 0.5560 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9485 -1.1217 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8857 1.0232 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 1.4844 -2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2977 0.6157 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3895 -1.2859 1.8639 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