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
2.8108 0.2514 0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 -0.2770 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 -0.1428 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4119 -0.7449 -1.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7800 -0.6385 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3361 0.0810 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4736 0.6845 0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0811 0.5769 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0793 0.2242 0.2685 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8723 0.1321 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 0.8445 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2717 -0.8652 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0458 -1.3115 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4095 -1.1325 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8883 1.2536 1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5679 1.0641 1.5515 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