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
-2.7920 -0.3188 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7777 0.4259 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3689 0.1900 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1655 -1.0636 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 -2.5098 -0.1331 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5388 -1.2696 0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3989 -0.1959 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8904 1.0755 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5444 1.2576 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1115 2.8708 -0.3080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8018 0.0879 -0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8379 -1.3045 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0122 1.4293 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9529 -2.2707 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4618 -0.3219 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 1.9178 0.0752 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