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
-2.1755 -1.6009 -0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8787 -0.4617 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5022 0.0026 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5618 -0.7345 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 -0.2691 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2415 -1.2001 -0.8531 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1431 0.9435 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 1.6621 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2290 1.2310 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5982 2.1693 1.2101 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.2213 -1.9264 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4206 -2.2513 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6745 0.1663 0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4531 -1.6984 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1325 1.3377 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2571 2.6298 1.2182 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