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
-2.7251 0.6432 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8750 -0.2561 0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 -0.1885 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3785 -1.1916 0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7344 -1.2018 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -0.1705 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5496 0.8470 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1630 0.8230 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2441 2.1732 -1.6514 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4556 1.5206 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7976 0.5612 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3026 -1.0824 0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0845 -1.9902 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3918 -1.9787 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3780 -0.1145 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4711 1.6062 -0.9338 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