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
2.7236 0.0725 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8533 -0.3775 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4207 -0.1224 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4700 -1.1404 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8099 -0.9681 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 -2.2623 1.0195 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3321 0.2050 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 1.2229 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1158 1.0408 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9628 2.3732 -0.7092 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4865 0.6530 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7878 -0.1622 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 -0.9554 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0124 -2.0655 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3999 0.3193 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8405 2.1670 -0.7493 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