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
    2.8180    0.1924    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587   -0.6199   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557   -0.2411   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0106    1.0004    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603    1.3167    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    0.4029   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8613   -0.8419   -0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -1.1678   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998   -2.0142   -0.9061 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6181    1.1858    0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556   -0.1191    0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092   -1.6192   -0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.7554    0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768    2.3029    0.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3753    0.6262   -0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013   -2.1593   -0.7276 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