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
    3.9850   -0.0827   -1.0541 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1008   -0.4349    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -0.1797    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766   -1.1569   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854   -0.8907   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206    0.3444   -0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    1.3233    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0995    1.0623    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579    0.6539   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4479   -0.2064   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5426    0.2292    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -1.4998    0.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789   -2.1440   -0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.6924   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6542    2.2993    0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934    1.8282    0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9041    1.6776    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4752    0.0813   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703   -1.2119   -0.8691 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