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
2.6525 -0.2272 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8470 0.4535 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4283 0.1442 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4016 1.2617 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7456 1.0589 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7916 2.4461 0.6431 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3225 -0.1929 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5024 -1.2794 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1232 -1.1045 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9015 -2.5183 -0.2028 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3658 -1.0560 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7157 0.0635 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2335 1.3074 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0443 2.2728 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 -0.3335 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8950 -2.2963 0.0821 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