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
2.6963 -0.7429 0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 0.2902 0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4517 0.1738 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2334 -1.0102 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 -1.0325 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4251 -2.5743 0.4447 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 0.1118 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6931 1.3007 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3151 1.3253 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5351 2.8571 -0.1820 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3229 -1.7394 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7864 -0.5919 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3777 1.2655 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3372 -1.9465 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4693 0.0903 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2656 2.2229 -0.1064 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