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
2.7223 0.6758 0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8199 0.1486 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4265 -0.0096 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1142 0.3760 0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4657 0.1983 1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1020 0.7040 2.7962 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3246 -0.3687 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7726 -0.7581 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4337 -0.5869 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1909 -1.1023 -2.7308 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7483 0.7751 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4482 1.0247 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1564 -0.1826 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 0.8251 1.7162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3766 -0.5113 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4471 -1.2081 -1.6085 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