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
2.3149 0.4672 1.6138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6913 -0.4504 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4371 -0.2195 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2133 0.9930 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4062 1.1493 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 0.1054 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3257 -1.1142 -1.1948 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1466 -1.2528 -0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4813 0.2997 -2.1063 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.2252 0.2251 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9237 1.4551 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1281 -1.4627 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1982 1.8391 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9128 2.1031 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 -1.9177 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 -2.2200 -0.4942 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