Monomers
2,6-Dichlorostyrene
Identifiers
IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)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
2.7201 0.6355 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8052 -0.2129 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 -0.1240 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 1.0394 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5231 2.5899 0.0171 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7089 1.0518 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4282 -0.1178 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 -1.2689 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 -1.3133 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5181 -2.8076 0.3823 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 0.4128 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5738 1.5480 -0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2147 -1.1053 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2059 2.0065 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4991 -0.1319 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2661 -2.2022 -0.0867 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
4 6 1 0
6 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
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers