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
   -2.7988    0.3223    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8804   -0.5756    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614   -0.2747    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4568   -1.2926   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052   -1.0474   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    0.2325   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.2444   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0346    1.0003    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0028    0.6039   -0.4302 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485    0.0879    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428    1.3535    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2404   -1.6072    0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0620   -2.2996   -0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221   -1.8488   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026    2.2520    0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    1.8489    0.3366 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