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
    3.2376    1.1873   -1.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    0.0595   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6052   -0.8332   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -0.4676    0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389    0.7353    0.6842 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.4778    0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -2.7319    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8618   -1.1576    1.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7021   -0.1738    0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    1.1745    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268    2.0486    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    1.5488   -0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3799    0.1979   -1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5579   -0.6263   -0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3886    2.6193   -1.6609 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6522    1.9773   -1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7366    0.8014   -2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    1.6647   -1.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4368   -0.5131   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0776    0.4596    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414   -2.9636   -0.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -3.5013    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4712   -2.0658    1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -0.7431    2.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    1.5359    1.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5068    3.0942    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0383   -0.1581   -1.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649   -1.6911   -0.5839 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