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
2.7682 0.0554 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7738 -0.7214 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3826 -0.2672 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6098 -1.2201 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9374 -0.8871 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 0.3956 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3944 1.3243 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0327 1.0097 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0859 2.2722 -0.7745 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 1.0504 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7765 -0.3957 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9694 -1.7653 -0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 -2.2233 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 -1.6613 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4133 0.6785 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 2.3552 -0.5169 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