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
-2.7049 -0.7244 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8910 0.2655 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4408 0.1725 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2185 -0.9931 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6028 -1.0848 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3668 0.0297 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7599 1.2110 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 1.2709 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3896 2.7721 -0.7273 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7811 -0.5733 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3291 -1.6991 0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2893 1.2494 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3353 -1.9042 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0566 -2.0426 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4383 -0.0489 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3450 2.0993 -0.4149 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