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
2.7323 0.3541 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 -0.5307 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4238 -0.2180 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1125 1.0100 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4808 1.2628 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 0.2882 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8418 -0.9510 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4960 -1.2017 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 -2.7905 -0.7841 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4418 1.3573 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7952 0.1527 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1895 -1.5223 -0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5192 1.8282 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8688 2.2416 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4327 0.4505 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5184 -1.7313 -0.7902 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