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
   -2.7949    0.3487    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8684   -0.5698    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4503   -0.2542   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651    1.0089    0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294    1.2587    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751    0.2099   -0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8169   -1.0665   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -1.2905   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157    0.5165   -0.1277 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8541    0.1146    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5672    1.3933    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2283   -1.5897   -0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073    1.8261    0.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642    2.2895    0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4957   -1.8952   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0558   -2.3003   -0.3174 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