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
    3.9677    1.8064   -1.9184 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1155    0.7335   -0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7606    0.0987    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941   -0.7454    1.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445   -0.9947    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128   -0.3552   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634    0.4917   -0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -0.5989   -0.2525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029    0.2070    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385    1.1379    1.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165   -0.0515    0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547   -1.0363   -0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072    0.8055    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    0.2792    0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179   -1.2388    1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -1.6596    1.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    0.9882   -1.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2985   -1.6598   -1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1111   -1.2411   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204    1.2438    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4631    0.1953    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184    1.5938    0.2349 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