Monomers
2,5-Dichlorostyrene
Identifiers
IUPAC name
1,4-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InchI Key
IZMZREOTRMMCCB-UHFFFAOYSA-N
SMILES
C=Cc1cc(Cl)ccc1Cl
Canonical SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC(=C1)Cl)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
-2.7648 -0.1966 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6959 -0.8284 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3615 -0.2766 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6960 -1.1519 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9856 -0.7188 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3129 -1.7760 0.7790 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 0.6205 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2221 1.4810 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 1.0460 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3399 2.1858 -0.8057 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7669 0.7919 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7538 -0.6525 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 -1.8598 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4546 -2.1933 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2748 0.9989 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4004 2.5297 -0.4070 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 1 0
5 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
4 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers