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
   -2.7209    0.5443    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -0.4589   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.2671   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3827   -1.3674   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7489   -1.2233   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253    0.0193    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    1.1191    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    0.9455    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2434    2.7077    0.4537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3725    1.5456    0.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8162    0.3996    0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3008   -1.4490   -0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928   -2.3325   -0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -2.1144   -0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912    0.0894    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242    1.8420    0.3072 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