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
0.2177 2.6136 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9112 1.7096 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3206 0.4317 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9688 0.0449 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4671 -1.2050 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6630 -2.1082 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6369 -1.7510 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1122 -0.5153 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2799 -3.7001 -1.1668 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.7076 3.5612 1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8045 2.4337 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 1.9290 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6254 0.7269 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4824 -1.5091 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3025 -2.4416 -1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1305 -0.2203 -0.8020 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