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
2.6493 0.8650 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8196 0.1385 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4188 -0.0323 0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1582 0.5594 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5143 0.3469 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 1.1272 -2.5695 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2850 -0.4430 -0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7345 -1.0438 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -0.8304 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3557 -1.5777 2.4415 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3135 1.3751 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6948 0.9598 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 -0.3552 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4256 1.1960 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3323 -0.6117 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 -1.6739 1.4637 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