Monomers

3-Chlorostyrene

Identifiers

IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=C1)Cl
Resources

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
   -2.6975    0.6387   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162   -0.4086   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.2412   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328   -1.3831   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7035   -1.2847   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128   -0.0568    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556    1.0813    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    0.9444    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240    2.6391    0.4039 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3004    1.6307    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7978    0.5264   -0.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768   -1.3790   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1683   -2.3419   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956   -2.1908   -0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4077   -0.0359    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    1.8616    0.2138 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
  7  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
  6 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers