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
-2.7364 0.3228 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8033 -0.5897 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4204 -0.2759 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 -1.3339 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7960 -1.0617 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 0.2414 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3484 1.2892 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0008 1.0249 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9026 0.5628 -0.7183 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7906 0.0626 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 1.3645 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1055 -1.6121 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -2.3292 0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5440 -1.8350 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6627 2.3121 -0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6872 1.8571 -0.1121 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