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
   -2.6788    0.6507    0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8296   -0.2680    0.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -0.2144    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4371   -1.2527    0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -1.1878    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -0.1379   -0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384    0.8835   -0.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965    0.8213   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0587    2.2220   -1.8102 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4145    1.5120   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7402    0.6048    0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -1.1143    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311   -2.0717    1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319   -1.9850    0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -0.1161   -0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5320    1.6537   -0.8418 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