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
2.6134 -0.9982 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -0.1045 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4322 0.0781 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1616 -0.6750 -0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4759 -0.5108 -1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1986 -1.5042 -2.3848 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 0.4529 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6798 1.2319 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3656 1.0503 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3257 2.0600 2.1354 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 -1.6602 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6320 -1.0753 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1782 0.5640 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3954 -1.4506 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2601 0.5608 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 1.9808 0.9433 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