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
-2.7989 0.3179 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8459 -0.5431 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4706 -0.2280 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0239 0.9399 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3294 1.1561 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2835 0.2119 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 -0.9617 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5028 -1.1879 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9894 0.4526 -0.6539 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8514 0.0852 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 1.2621 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1514 -1.4849 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7116 1.7219 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6754 2.0842 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6082 -1.7070 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 -2.1192 0.9175 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