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
2.7914 0.4859 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8000 0.0153 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3992 -0.0130 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4309 -0.9783 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7703 -1.0961 -0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7170 -2.3287 -1.3830 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 -0.2088 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5873 0.7499 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2166 0.8309 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7414 2.0915 1.4569 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7807 0.9437 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8339 0.4426 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 -0.4180 -1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0499 -1.6566 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4052 -0.3073 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9985 1.4468 1.6540 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