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
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
-2.4991 -0.7978 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8995 -0.1097 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4735 0.0450 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0783 1.2487 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4313 1.4446 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1075 2.9571 1.2692 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2466 0.3929 0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7641 -0.8048 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3801 -0.9606 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1425 -2.5545 -0.7881 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9678 -1.3057 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6000 -0.9017 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5664 0.3684 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5961 2.0494 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3169 0.5430 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 -1.6143 -0.4009 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