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
2.6150 -0.8832 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9106 0.2115 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4561 0.1835 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2413 -0.9670 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6330 -0.9877 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4919 -2.5032 -0.4657 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3129 0.2103 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 1.3947 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2588 1.3741 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6195 2.8623 0.2719 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7052 -0.7997 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1925 -1.8774 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4285 1.1594 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2236 -1.9324 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4010 0.2365 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1903 2.3183 -0.0944 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