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
-2.7223 0.6212 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9416 -0.4004 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5071 -0.2224 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3115 -1.3399 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6721 -1.2239 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3029 0.0011 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 1.1034 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1317 0.9889 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1834 0.1551 -0.5766 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3864 1.6431 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8113 0.5121 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3999 -1.3888 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1892 -2.3023 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3012 -2.0986 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9877 2.0675 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4425 1.8838 0.2507 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