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
   -2.7349    0.5768   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9176   -0.3498    0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757   -0.1932    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4080   -1.1838    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607   -1.0932    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191   -0.0113   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384    0.9580   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    0.8903   -0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445    0.1297   -0.5226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5048    1.4775   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111    0.4311    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.2356    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331   -2.0332    1.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -1.8735    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8551    1.8212   -1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.6890   -0.8452 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