Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
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
2.7625 -0.4611 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8235 0.4475 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4008 0.1771 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1253 -1.0945 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 -1.2611 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3498 -0.1841 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8355 1.0830 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 1.2487 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 2.8911 -0.0631 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7898 -0.1588 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4832 -1.4982 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1417 1.5028 0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5388 -1.9657 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8575 -2.2898 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4300 -0.3537 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5132 1.9168 -0.2494 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 2 0
6 7 1 0
7 8 2 0
8 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers