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
2.7166 0.6280 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8775 -0.3847 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4558 -0.2433 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1434 0.9945 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 1.1316 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2797 2.7023 0.0481 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3451 0.0221 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7370 -1.2134 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3694 -1.3524 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 -2.9775 -0.0718 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7912 0.4680 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4047 1.6570 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2914 -1.4011 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4217 1.9341 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4424 0.1112 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3941 -2.0764 -0.0460 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