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
2.7149 0.3920 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8516 -0.5731 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4276 -0.2928 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4444 -1.3817 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7805 -1.1306 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2697 0.1377 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 1.2322 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 0.9717 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0515 2.8559 -0.4297 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4230 1.4006 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7703 0.1461 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1798 -1.6190 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0351 -2.3924 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4885 -1.9459 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3456 0.3528 -0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 1.8466 -0.2526 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