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
-2.0316 1.8347 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4952 0.8531 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3187 0.1525 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6850 0.7012 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 2.4111 0.8803 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7863 -0.0384 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8665 -1.3726 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8743 -1.9639 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1775 -1.2173 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4755 -1.9129 -1.5562 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.9275 2.3142 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 2.2218 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9739 0.5370 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5464 0.4505 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7215 -1.9486 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9391 -3.0225 -0.4214 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