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
2.7613 0.5292 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9304 -0.4518 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5006 -0.2208 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3568 -1.3035 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7223 -1.1495 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3265 0.0716 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4995 1.1450 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1054 0.9971 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0606 0.2831 0.1885 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3895 1.5142 -0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8508 0.3203 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3469 -1.4388 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1253 -2.2724 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3533 -2.0249 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9625 2.1195 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 1.8818 -0.3688 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