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
2.8623 0.1242 -0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 -0.4369 0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4074 -0.1489 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5460 -1.1623 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8807 -0.9641 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 -2.2406 0.4430 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3677 0.2411 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4448 1.2330 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0725 1.0419 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0103 2.3936 -0.5613 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 0.9000 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8558 -0.2068 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0196 -1.2272 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1819 -2.1029 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4303 0.3734 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7966 2.1825 -0.8759 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