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
-2.8071 -0.2186 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7970 0.4610 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4211 0.2194 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0849 -0.7766 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2630 -1.0100 -0.9834 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1953 -0.2153 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 0.7926 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 1.0031 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8943 -0.4982 -0.8072 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6348 -1.0214 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8336 0.0158 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0150 1.2604 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8062 -1.4354 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5235 -1.7977 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6866 1.4220 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3383 1.7990 1.4970 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