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
   -3.6119    1.3108   -1.1631 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255    0.1963    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6576    0.0019    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344    0.8683    0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.7259    0.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.2651   -0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798   -1.1351   -0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0855   -0.9965   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5568   -0.4576   -0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057    0.3121    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402    0.6603    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6715   -0.7806    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2307    1.6774    1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1857    1.4290    1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277   -1.9133   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -1.6613   -1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -1.2605   -0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948    1.1219    0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729    0.1662    0.2437 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