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
    3.9767    2.4067    0.7611 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1152    1.0983   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8183    0.0134   -0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1431   -1.0142   -1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7657   -0.9432   -1.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    0.1240   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    1.1484   -0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3462    0.2081   -0.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190   -0.2690    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -0.8157    1.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622   -0.1875   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4394   -0.6708    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2999    0.4391   -1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855   -0.0405   -0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7127   -1.8593   -1.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619   -1.7601   -1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2282    2.0164    0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4998   -0.6330    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820   -1.1390    1.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330    1.5379   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3755    0.1286   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8096    0.2115   -2.1465 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