Monomers
2,6-Dichlorostyrene
Identifiers
IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)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
2.7335 0.2026 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6515 -0.3452 -0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3439 -0.1179 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 -1.1377 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1195 -2.6147 -1.2002 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.8982 -1.0065 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2983 0.1391 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3859 1.1539 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0842 1.0087 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0002 2.3634 0.5472 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7059 -0.0174 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8270 0.8532 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7464 -1.0237 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6310 -1.8186 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2903 0.2896 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6771 2.0713 1.3799 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
4 6 1 0
6 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
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers