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
   -2.0496    1.3122   -2.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -0.1012   -2.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938   -0.7031   -1.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0221   -0.8666   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779   -0.4467   -1.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7841   -1.4884    0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8397   -1.9051    1.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5485   -1.6744    0.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3206   -0.4604    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232    0.2765    2.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698    1.4125    2.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055    1.8290    1.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    1.1114    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582   -0.0298    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    3.2979    1.9281 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7081    1.8641   -3.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    1.8075   -1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    1.3808   -3.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6386   -0.0881   -2.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068   -0.6783   -3.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377   -1.7951    0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7041   -2.3694    1.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219   -2.2662    1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1294   -2.3097    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989   -0.0182    3.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7356    2.0114    3.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486    1.4644   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524   -0.5667   -0.6448 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