Monomers
4-Chlorostyrene
Identifiers
IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=C1)Cl
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
2.7712 0.3028 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7904 -0.5779 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4320 -0.2644 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0378 0.9742 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2475 1.2755 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1893 0.2693 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8615 -0.9942 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 -1.2338 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8462 0.5512 -1.1728 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6583 1.3216 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7525 -0.0089 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9757 -1.6045 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 1.7631 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5255 2.2725 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6100 -1.7971 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -2.2493 0.4838 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers