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
2.6286 -0.5697 0.9166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9358 -0.3667 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4997 -0.0877 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2425 -0.0149 0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6181 0.2563 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2756 0.4591 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5287 0.3860 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 0.1196 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9899 0.7984 -0.3365 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1562 -0.5374 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6794 -0.7707 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4794 -0.4133 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 -0.1655 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1754 0.3073 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0257 0.5422 -2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4342 0.0571 -2.2613 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