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
2.6466 0.7476 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8099 0.0016 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3925 -0.0260 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 1.0030 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3879 2.5721 0.5158 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 0.8534 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3802 -0.3348 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 -1.3752 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2962 -1.2380 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 -2.5759 -1.0835 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7208 0.7445 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4019 1.3843 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 -0.6211 -1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2654 1.7002 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4280 -0.4951 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 -2.3405 -0.3290 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