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
-2.8023 0.4337 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9271 -0.4915 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4972 -0.2388 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3864 -1.2660 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7483 -1.0678 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3136 0.1459 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4724 1.1675 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0915 0.9738 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2116 0.3693 -0.2570 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5020 1.4357 0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8734 0.2229 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2614 -1.4938 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0563 -2.2364 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3794 -1.8982 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8552 2.1425 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5389 1.8011 0.5420 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