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
2.7775 0.4705 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8843 -0.3635 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4707 -0.1895 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0784 0.8347 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4422 0.9598 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3103 0.0444 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -0.9892 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4138 -1.1140 -0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0613 0.1770 0.4499 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8505 0.3178 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5636 1.3382 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2392 -1.2065 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6065 1.5773 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8195 1.7814 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 -1.7071 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0146 -1.9314 -1.2869 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