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
    4.7168    0.8390   -0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884    0.1358    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990    0.1671    0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507   -0.4255    0.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2271   -0.9743    1.9542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319   -0.4153    0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4618   -0.9777    1.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2305    0.2292   -0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    0.1079   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4429    1.1024    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8178    0.9974    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552   -0.0783   -0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6701   -1.0337   -0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3079   -0.9933   -1.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2010   -0.1801   -0.3537 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4033    1.5639   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    0.1232   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094    1.3857   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -0.9429    0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504    0.5603    1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5525   -0.9971    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654   -1.4555    2.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205   -0.2344   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0133    1.3272   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580    1.9650    0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3819    1.8001    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677   -1.8775   -1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737   -1.7186   -1.5017 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