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
    5.0977    0.3712    0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -0.7895    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325   -0.2313    0.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6929   -1.0028   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782   -2.2336   -0.2283 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639   -0.4028   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.8950    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -1.2046   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886   -0.3867   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182    0.1860   -1.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7605    0.9487   -1.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307    1.1721   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9306    0.6162    1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7788   -0.1466    1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8928    2.1513   -0.1109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    1.0678   -0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1319    0.0151    0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    0.9555    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3785   -1.1916   -0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758   -1.5752    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    1.5100    0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7214    1.3605    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351   -1.8097   -1.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214   -1.9375    0.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1162    0.0313   -2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    1.3949   -2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4701    0.8025    1.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4114   -0.5666    1.9395 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