Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
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
2.6516 -0.5874 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8898 0.2742 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4384 0.1349 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2749 -0.8696 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6653 -0.9383 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3967 0.0014 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6822 1.0111 -0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3089 1.0882 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5792 2.3959 -1.5397 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2748 -1.4444 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7384 -0.4759 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3958 1.0937 -0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2849 -1.6251 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 -1.7495 0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4819 -0.0615 -0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2562 1.7522 -1.3692 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
8 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
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers