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
   -2.7762    0.5014    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950   -0.4676    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581   -0.2605    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    0.9947   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675    1.1823   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    0.0982   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398   -1.1329    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833   -1.3658    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0320    0.3686   -0.1519 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8465    0.3135    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    1.5414   -0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2872   -1.4787    0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5057    1.8722   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8940    2.1683   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184   -1.9763    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0383   -2.3589    0.3027 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