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
   -2.7037    0.7694    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9626   -0.2812   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074   -0.1903   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748   -1.3241   -0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475   -1.3193   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2910   -0.1162    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612    1.0199    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761    0.9660    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -0.0764    0.0436 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356    1.7477    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7794    0.6735    0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4536   -1.2359   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -2.2459   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2523   -2.1918   -0.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    1.9305    0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3539    1.8740    0.4432 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