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
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
    2.7798   -0.5166    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825   -1.0449    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469   -0.3322    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    0.9945   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    1.6432   -0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867    0.9646   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0688   -0.3695   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764   -0.9929    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5854   -1.2491   -0.0359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   -1.1185    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026    0.5199    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5142   -2.1128    0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399    1.5537   -0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772    2.6904   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0503    1.4183   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638   -2.0482    0.4478 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