Monomers

Vinyl carbanilate

Identifiers

IUPAC name
ethenyl N-phenylcarbamate
InchI
InChI=1S/C9H9NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
InchI Key
JQNHVGUIRIXTOS-UHFFFAOYSA-N
SMILES
C=COC(=O)Nc1ccccc1
Canonical SMILES
C=COC(=O)NC1=CC=CC=C1
Isomeric SMILES
C=COC(=O)NC1=CC=CC=C1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H9NO2
Heavy Atom Count
12
Molecular Weight
163.176
Exact Molecular Weight
163.0633
Valence Electrons
62
Radical Electrons
0
tPSA
38.33
MolLogP
2.3786
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.5137    0.4409    0.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8700   -0.3411   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6965   -0.9991    0.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -0.4075   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429    0.7303   -0.6601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712   -1.1186    0.2168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.6310    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285    0.4605   -0.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6528    0.9247   -0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6683    0.2710   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761   -0.8433    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0765   -1.2700    0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4115    0.9303    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394    0.5926    1.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2303   -0.5095   -1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -2.1051    0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6108    1.0364   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801    1.7990   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7040    0.6179   -0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2132   -1.3177    1.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599   -2.1460    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers