Monomers

4-Chlorostyrene

Identifiers

IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=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
   -2.7591   -0.7223    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8799    0.0712    0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4558    0.1128    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0709   -0.6902   -0.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6331   -1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925    0.2288   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493    1.0366    0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109    0.9823    0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932    0.3003   -0.8364 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7872   -0.6629    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -1.4307   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495    0.7379    1.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732   -1.3837   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8323   -1.2740   -1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4405    1.7137    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0047    1.6133    1.6634 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
  6  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
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers