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
2.7484 0.5380 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8435 -0.0495 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4244 -0.0413 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3455 -1.1471 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6950 -1.2187 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6035 -2.6142 -0.9343 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 -0.2154 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6445 0.8718 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2593 0.9511 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6089 2.3926 0.9610 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5841 1.0887 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8180 0.4960 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.5672 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2040 -1.9361 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4208 -0.2609 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0983 1.7123 1.2017 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