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
2.7547 0.3858 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8246 -0.4630 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4231 -0.2338 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0389 0.8898 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3943 1.1050 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8841 2.5863 1.5624 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3100 0.1500 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8864 -0.9914 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5465 -1.1709 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0522 -2.6477 -1.3520 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5684 1.3100 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8027 0.1829 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0941 -1.3868 -0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6563 1.6666 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3696 0.3304 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6420 -1.7132 -0.5488 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