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
2.6930 0.4355 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8465 -0.4494 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 -0.2400 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4358 -1.3204 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7958 -1.1834 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 0.0491 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5743 1.1412 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 0.9689 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7936 2.3840 -0.7091 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3701 1.3652 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7763 0.2917 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2341 -1.4015 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0382 -2.2712 0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3949 -2.0520 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4599 0.1552 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9640 2.1269 -0.5151 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