Monomers
2,6-Dichlorostyrene
Identifiers
IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Cl2
Heavy Atom Count
10
Molecular Weight
173.042
Exact Molecular Weight
171.9847
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.6364
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
2.7415 0.2395 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6487 0.7891 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 0.2372 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 1.1617 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3923 2.8820 -0.0806 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.0066 0.6971 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2854 -0.6546 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2783 -1.5694 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0223 -1.0952 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2953 -2.2937 -0.2893 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7234 0.6995 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 -0.6568 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6980 1.7446 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7829 1.4534 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3047 -0.9839 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 -2.6505 0.1518 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
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers