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
2.7879 0.5290 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8525 -0.2627 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4349 -0.1088 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 -1.2649 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 -1.2511 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6641 -2.7338 -0.1806 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 -0.0592 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6438 1.1133 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2435 1.0591 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6229 2.5680 0.1114 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6061 1.4421 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8649 0.3057 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2386 -1.1700 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1352 -2.2289 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4340 -0.0229 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1260 2.0853 0.2561 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