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
-2.7787 -0.1064 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7428 0.5689 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 0.1969 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0988 -1.0919 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 -2.4372 -0.0800 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.4560 -1.4155 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3524 -0.3773 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 0.9397 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6219 1.2263 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0600 2.8955 -0.1803 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7744 0.3678 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -1.0681 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 1.5683 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 -2.4579 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4284 -0.5590 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 1.7499 -0.0209 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