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
-2.7475 -0.3568 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9190 0.4361 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 0.2269 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0557 -0.8287 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4360 -1.0349 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2575 -0.1501 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7589 0.9287 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3949 1.1010 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1567 -0.3662 -0.0233 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4276 -1.2059 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8115 -0.1805 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3239 1.2989 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5226 -1.5640 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8312 -1.8734 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3896 1.6395 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 1.9293 -1.3088 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