Monomers

Ethyl 2-[(4-chlorophenyl)methyl]prop-2-enoate

Identifiers

IUPAC name
ethyl 2-[(4-chlorophenyl)methyl]prop-2-enoate
InchI
InChI=1S/C12H13ClO2/c1-3-15-12(14)9(2)8-10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InchI Key
PTTMINMQEXCCGK-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cc1ccc(cc1)Cl
Canonical SMILES
CCOC(=O)C(=C)CC1=CC=C(C=C1)Cl
Isomeric SMILES
CCOC(=O)C(=C)CC1=CC=C(C=C1)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H13ClO2
Heavy Atom Count
15
Molecular Weight
224.687
Exact Molecular Weight
224.0604
Valence Electrons
80
Radical Electrons
0
tPSA
26.3
MolLogP
3.0018
H Bond Acceptors
2
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

 28 28  0  0  0  0  0  0  0  0999 V2000
    3.8536    0.2644   -0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    0.1338   -1.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4590    0.2167   -0.4434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3686   -0.6645    0.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420   -1.5662    0.6735 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3534   -0.6058    1.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456   -1.4903    2.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956    0.4310    1.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527    0.4140    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3340    1.2837   -0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1401    1.2647   -1.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1726    0.3622   -1.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3965   -0.5140   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5858   -0.4870    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1956    0.3301   -3.3116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8671    0.8804    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    0.7273   -1.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2572   -0.7710   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    0.9827   -2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   -0.8084   -1.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4063   -1.4805    3.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -2.2898    2.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412    1.4694    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971    0.3686    2.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5594    2.0144   -0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9647    1.9522   -2.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2064   -1.2302   -0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7820   -1.1879    1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
 10 25  1  0
 11 26  1  0
 13 27  1  0
 14 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers