Monomers
2,5-Dichlorostyrene
Identifiers
IUPAC name
1,4-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InchI Key
IZMZREOTRMMCCB-UHFFFAOYSA-N
SMILES
C=Cc1cc(Cl)ccc1Cl
Canonical SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC(=C1)Cl)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
2.7723 0.0168 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7434 -0.5791 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 -0.2036 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5944 -1.2199 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9018 -0.9247 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0732 -2.2426 0.1122 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3029 0.3808 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3524 1.3737 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 1.0956 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1336 2.4495 -0.0664 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8031 -0.3171 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6470 0.8227 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9846 -1.4191 -1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -2.2536 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3466 0.6013 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6454 2.4193 0.3754 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
5 6 1 0
5 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
4 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers