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
   -2.7904    0.2988   -0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -0.5712   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682   -0.2535   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4191   -1.2543    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644   -1.0065    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803    0.2493    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    1.2587   -0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0770    0.9907   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0028    0.5900    0.4833 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8476    0.0117   -0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5035    1.3054   -0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -1.5934    0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150   -2.2349    0.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230   -1.8322    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407    2.2442   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5548    1.7973   -0.5364 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