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
2.5892 0.9004 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8715 -0.1877 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4265 -0.1868 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2769 0.9957 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6578 0.9820 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5494 2.4976 0.3676 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2948 -0.2375 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 -1.4205 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2277 -1.4129 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7284 -2.8683 -0.2759 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6852 0.8774 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1637 1.8642 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4258 -1.1286 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1991 1.9643 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3783 -0.2526 0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1075 -2.3868 -0.0492 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