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
-2.6968 0.8087 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9168 -0.1206 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4991 -0.1195 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1699 0.8067 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5315 0.7484 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3025 -0.2422 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6554 -1.1818 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3058 -1.1282 -0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0363 -0.3636 0.5127 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3736 1.6212 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7836 0.8146 -0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3449 -0.8894 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 1.6111 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0101 1.4948 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2475 -1.9882 -0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2180 -1.8720 -1.3383 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