Monomers

1-(Chloromethyl)-4-vinylbenzene

Identifiers

IUPAC name
1-(chloromethyl)-4-ethenylbenzene
InchI
InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
InchI Key
ZRZHXNCATOYMJH-UHFFFAOYSA-N
SMILES
ClCc1ccc(cc1)C=C
Canonical SMILES
C=CC1=CC=C(C=C1)CCl
Isomeric SMILES
C=CC1=CC=C(C=C1)CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H9Cl
Heavy Atom Count
10
Molecular Weight
152.624
Exact Molecular Weight
152.0393
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.0684
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6466   -1.9241   -0.1229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1369   -0.2625    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -0.1019    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -0.3608    1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012   -0.2095    0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281    0.2052   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2104    0.4631   -1.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1466    0.3135   -1.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    0.3681   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4709    0.1436    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273    0.4132   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388   -0.0525    1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548   -0.6920    2.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3048   -0.4188    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5950    0.7882   -2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706    0.5148   -1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    0.7036   -1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2823   -0.1838    1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5284    0.2927    0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  9 10  2  3
  8  3  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers