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
2.7931 0.0339 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7703 0.3748 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3699 0.1248 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5953 0.9725 0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0067 2.3243 1.7033 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9464 0.7702 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4096 -0.2855 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 -1.1169 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0969 -0.9107 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9710 -2.0669 -1.3009 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7601 -0.4878 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7903 0.3205 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9631 0.9288 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6360 1.4525 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4596 -0.4787 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8054 -1.9559 -1.3413 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