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
2.4822 -1.1779 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8677 -0.0344 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4609 0.1563 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3320 -0.9324 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6940 -0.8018 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6933 -2.1998 0.7651 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 0.4675 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4611 1.5828 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1357 1.3963 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8689 2.8023 -0.4061 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 -2.1135 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5488 -1.2802 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4701 0.8672 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0220 -1.9434 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2783 0.6186 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8736 2.5924 0.2184 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