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
   -3.2626   -1.0694    2.1339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0107   -0.5024    0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721   -0.3176    0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -1.3818   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -1.2139   -0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146    0.0175   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3870    1.0666    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670    0.8984    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    0.1134   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    1.2143   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4769   -1.2597   -0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5195    0.4705    0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3134   -2.3412   -0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0388   -2.0464   -1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    2.0317    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    1.7497    0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382   -0.7694   -1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070    2.0872   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297    1.2524   -0.7365 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