Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=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
2.4315 1.3620 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 0.1614 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5146 -0.1032 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0639 -1.3941 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2629 -1.7326 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1863 -0.7258 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 0.5759 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4581 0.8566 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9634 1.8725 0.2952 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5181 1.5325 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8044 2.2343 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6402 -0.6464 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7976 -2.1788 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 -2.7619 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2608 -0.9149 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 1.8626 0.3228 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers