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
2.8236 0.2935 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8746 -0.6032 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4717 -0.2555 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 -1.2789 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -1.0316 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3019 0.2532 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4065 1.2794 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 1.0149 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0365 0.5726 0.3561 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5867 1.3468 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8736 0.0219 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1862 -1.6390 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 -2.2838 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5470 -1.8207 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 2.2884 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6608 1.8420 -0.2370 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