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
2.8016 0.1622 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8541 -0.6026 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4509 -0.2589 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 0.9125 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 1.1898 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3046 0.3167 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8537 -0.8548 -0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5040 -1.1293 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0319 0.7083 -0.0422 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8615 -0.1411 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6425 1.1220 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 -1.5474 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6952 1.6117 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6949 2.1221 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5456 -1.5522 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 -2.0589 -1.0575 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