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
cid=

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
   -2.8220    0.3749    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899   -0.4846    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -0.2455    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807   -1.2127    0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358   -1.0215    0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.1689   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    1.1420   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.9384   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462    0.4440   -0.4266 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6335    1.3539   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8838    0.1485    0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1902   -1.4615    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894   -2.1602    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -1.7991    0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682    2.0790   -0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6694    1.7354   -0.6378 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