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
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
-2.7660 0.4239 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 -0.4504 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4876 -0.2451 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4188 -1.2022 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7748 -1.0213 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 0.1296 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4152 1.0760 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0251 0.8872 0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0224 0.3750 0.1519 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 1.3315 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8461 0.2810 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 -1.3897 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 -2.0802 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4924 -1.7601 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 1.9604 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5865 1.6843 0.8516 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