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
   -2.6913    0.7660   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160   -0.2947   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4679   -0.2384   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073   -1.3835   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745   -1.4014   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227   -0.1906    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    0.9877    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1823    0.9653    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710    2.5269    0.2970 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3285    1.7731    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7637    0.6552   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3747   -1.2920   -0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319   -2.3217   -0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676   -2.3051   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073   -0.1628    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271    1.9159    0.1380 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