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
2.7012 0.6167 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8318 -0.3635 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3982 -0.2031 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1584 1.0104 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 1.0992 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1852 2.6624 0.8748 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3123 -0.0305 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7804 -1.2526 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4149 -1.3197 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3593 -2.8477 -0.6641 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3859 1.6104 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7607 0.5013 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2476 -1.3325 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4607 1.9039 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3728 0.0760 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3832 -2.1309 -0.1326 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