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
2.5524 1.1517 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8639 0.4382 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4911 0.0586 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2009 0.4087 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5320 0.0306 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 -0.7291 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 -1.0889 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2042 -0.7170 -1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9891 -1.2449 0.4925 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.1616 1.5040 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5939 1.4147 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3520 0.1178 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3080 1.0104 1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0276 0.3251 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0319 -1.6882 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3516 -0.9915 -2.0760 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