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
2.7799 -0.3957 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 0.4457 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3994 0.1907 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 1.3040 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7595 1.1422 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3986 -0.0710 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 -1.1616 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2408 -1.0096 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6642 -2.4453 -0.6303 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8313 -0.1022 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5831 -1.3845 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1334 1.4486 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0917 2.2599 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 2.0484 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4734 -0.1337 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0678 -2.1360 -0.1301 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