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
-2.8405 -0.1601 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8003 0.5992 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4362 0.2207 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0776 -0.9667 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2598 -1.2851 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2630 -0.4023 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9197 0.7952 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6002 1.0860 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3361 1.9986 -0.6238 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.7334 -1.1431 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8339 0.2123 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9801 1.5602 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 -1.6824 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5070 -2.2280 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3155 -0.6284 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3637 2.0238 -0.9116 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