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
2.7805 -0.0957 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7520 -0.7191 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -0.2405 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6234 -1.2178 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9271 -0.8230 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2275 -2.0251 0.1181 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2674 0.4976 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3132 1.4883 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0109 1.0572 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 2.3647 -0.1420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7717 -0.5241 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 0.8063 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 -1.6544 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3621 -2.2686 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3031 0.8183 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5706 2.5359 0.1742 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