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
2.7811 0.2152 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8500 -0.6563 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4635 -0.2809 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 -1.2586 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8285 -0.9380 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.3444 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3436 1.2912 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0203 1.0000 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0016 0.7437 0.3279 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8202 -0.1642 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5978 1.2722 -0.5503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1328 -1.6870 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 -2.2795 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5787 -1.7066 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6801 2.3153 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 1.7890 -0.4277 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