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
    4.1056   -0.3456   -2.4060 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1706    0.0698   -0.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998    0.2288    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0823    0.5511    1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193    0.7224    1.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446    0.5686    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8033    0.2441   -1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3393    0.7437    0.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002   -0.3271    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6598   -1.4393    0.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381   -0.2010    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2423    0.9447   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4934   -1.3844    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    0.1048    0.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5434    0.6869    2.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618    0.9784    2.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    0.1170   -1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    1.8386   -0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3015    1.0672   -0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6326   -1.6030    1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -2.2628   -0.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4854   -1.3027   -0.0878 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