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
2.5194 -1.1891 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9158 -0.0668 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4763 0.1104 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3933 -0.9012 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7645 -0.7129 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8259 -2.0282 -0.6772 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3152 0.5044 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 1.5352 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0846 1.3361 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9578 2.6622 0.8734 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0325 -2.1027 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6194 -1.2547 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5398 0.7877 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0290 -1.8586 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3884 0.6916 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8720 2.4866 0.7073 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