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
   -3.4754    0.0261   -2.0572 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292   -0.2186   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613   -0.0355   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7796   -1.0911   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999   -0.9519   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    0.2908    0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    1.3494    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289    1.1968    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    0.5347    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938   -0.4441    0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -1.3102   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346    0.3821    0.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775   -2.0717   -0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2528   -1.8134   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6114    2.3457    0.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8328    2.0322    0.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647    1.5289    0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -0.2717    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699   -1.4786    0.0985 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