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
   -2.5359   -1.1806    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859   -0.0855    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    0.0811    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2383   -0.8739   -0.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767   -0.6604   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    0.5289   -0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771    1.4954    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675    1.2868    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900    0.8046   -0.9877 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0872   -2.0081   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5806   -1.3026    0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4156    0.7281    1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230   -1.8338   -0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1194   -1.4511   -1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9747    2.4363    0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262    2.0348    0.9951 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