Monomers
4-Chlorostyrene
Identifiers
IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=C1)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
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
2.7746 -0.4983 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9132 0.2206 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 0.1287 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 0.9486 -0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 0.9017 -0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3227 0.0508 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4923 -0.7450 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1154 -0.7186 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0699 0.0228 0.2798 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8537 -0.4075 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4709 -1.2038 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3014 0.9199 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1062 1.6309 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3796 1.5470 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9661 -1.4189 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5134 -1.3790 1.3504 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