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
2.8142 0.3497 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 -0.5695 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4732 -0.2553 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4623 -1.2933 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8114 -1.0384 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3243 0.2278 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4162 1.2572 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0422 1.0069 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0550 0.5051 -0.0763 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8689 0.0988 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5859 1.3917 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1941 -1.6108 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 -2.2973 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5004 -1.8602 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 2.2562 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6436 1.8315 -0.2159 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