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
2.6920 0.7517 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8611 -0.2515 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4295 -0.1816 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2028 0.9526 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5821 0.9983 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2737 2.4880 1.1787 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3373 -0.1260 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7215 -1.2737 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.2971 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4392 -2.7479 -0.9720 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 1.7053 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7603 0.5987 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2790 -1.1814 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 1.8510 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4109 -0.1000 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3015 -2.1863 -0.3511 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