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
2.7654 -0.5200 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7981 0.1995 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3794 0.1081 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4168 1.2518 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3379 2.7485 -0.9192 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 1.2354 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3861 0.0754 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6192 -1.0476 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2373 -1.0357 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5856 -2.5505 0.5361 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5953 -1.2973 0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8131 -0.3776 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 0.9727 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4045 2.1060 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 0.0822 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1219 -1.9509 0.8325 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