Monomers
4-Bromostyrene
Identifiers
IUPAC name
1-bromo-4-ethenylbenzene
InchI
InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
WGGLDBIZIQMEGH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Br
Canonical SMILES
C=CC1=CC=C(C=C1)Br
Isomeric SMILES
C=CC1=CC=C(C=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
2.7864 -0.5728 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9222 0.4143 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4967 0.2391 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3332 1.3618 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6949 1.1689 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3022 -0.0621 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4882 -1.1654 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0998 -0.9967 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2071 -0.2610 -0.1580 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 -0.3370 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 -1.5946 0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3212 1.4423 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1043 2.3678 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3756 2.0264 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9458 -2.1303 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -1.9008 0.1667 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers