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
    4.3780   -2.1164    0.1947 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.7789    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7367    0.4664   -0.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053    1.5789   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5808    1.3946    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    0.1447    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132   -0.9518    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702    0.0762    0.7329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2035   -0.1893   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385   -0.3581   -1.4172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276   -0.2715   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1099   -0.0946    1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5330   -0.5601   -1.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7869    0.6185   -0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2760    2.5572   -0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    2.2697    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.9215    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4274    0.1141    2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1592   -0.1457    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870   -1.6362   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1045   -0.0938   -2.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5323   -0.1025   -1.0103 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