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
2.6680 0.6519 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8692 -0.1396 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4447 -0.1142 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2954 -1.2984 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6480 -1.3567 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4986 -2.9015 0.0097 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3113 -0.1597 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6490 1.0379 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2568 1.0372 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5564 2.6025 -0.0536 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3053 1.3456 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7529 0.6043 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3241 -0.8235 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2812 -2.2012 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3852 -0.2449 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1576 1.9604 0.3244 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