Monomers

3-Chlorophenyl 2-methylprop-2-enoate

Identifiers

IUPAC name
(3-chlorophenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C10H9ClO2/c1-7(2)10(12)13-9-5-3-4-8(11)6-9/h3-6H,1H2,2H3
InchI Key
UZPZUBQNWHJPCU-UHFFFAOYSA-N
SMILES
Clc1cccc(c1)OC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OC1=CC(=CC=C1)Cl
Isomeric SMILES
CC(=C)C(=O)OC1=CC(=CC=C1)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H9ClO2
Heavy Atom Count
13
Molecular Weight
196.633
Exact Molecular Weight
196.0291
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.8215
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.5713    0.3230    3.0828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8839    0.3633    1.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331    0.3106    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137    0.3410   -0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8598    0.4230   -1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    0.4749   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    0.4457    1.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631    0.5589   -0.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1200   -0.5860   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5663   -1.7130   -0.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -0.5581   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899   -1.6618   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2836    0.7588   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7826    0.2471    0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    0.2993   -1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    0.4500   -2.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800    0.4856    2.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8113   -2.6229   -0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3570   -1.6273   -0.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589    0.9200   -1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1579    0.7953    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696    1.5727   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 11 13  1  0
  7  2  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
 12 18  1  0
 12 19  1  0
 13 20  1  0
 13 21  1  0
 13 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers