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
-2.3991 1.3610 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7987 0.5066 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4286 0.0569 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0811 -1.2148 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 -1.6921 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 -0.9889 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8959 0.2499 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 0.7508 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2694 2.3621 1.0564 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.0426 1.8851 1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4471 1.6111 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 0.0859 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -1.7601 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4319 -2.6677 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2191 -1.3902 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6600 0.8445 1.0207 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