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
-2.7171 0.5845 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9368 -0.3739 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5021 -0.2328 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1527 0.9137 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5239 1.0557 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 0.0282 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6714 -1.1440 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3056 -1.2784 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2040 0.1656 -0.3610 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 1.5603 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8147 0.4476 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4419 -1.3089 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4616 1.7562 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9995 1.9760 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3117 -1.9582 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1947 -2.1917 -0.7871 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