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
-2.8101 0.4433 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 -0.4693 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4867 -0.2166 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4471 -1.2482 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7927 -1.0934 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2793 0.1169 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 1.1311 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0211 0.9619 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1528 0.3340 -0.6237 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5254 1.4136 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8512 0.2617 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2128 -1.4574 0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 -2.1932 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5065 -1.8888 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7827 2.0916 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6349 1.8128 -0.4968 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