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
2.7969 -0.4514 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8736 0.3396 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4490 0.1730 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0411 -0.8684 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -0.9976 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3241 -0.1137 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8283 0.9256 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4796 1.0496 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0658 2.1554 1.2186 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6010 -1.3270 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8438 -0.2771 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1893 1.1941 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6199 -1.5834 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7522 -1.8329 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3853 -0.2502 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0877 1.8644 1.2742 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