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
2.7969 0.2889 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9363 -0.0588 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.0514 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0831 0.3197 0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4776 0.3100 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3116 -0.0748 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7276 -0.4518 -1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 -0.4401 -1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2101 -0.0981 0.2846 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.4590 0.6010 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8797 0.2729 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3375 -0.3668 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5165 0.6343 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9453 0.6021 2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4043 -0.7480 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0897 -0.7390 -2.2040 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