Monomers

3-Chloro-1-(4-methoxyphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H8ClNO3/c1-16-8-4-2-7(3-5-8)13-10(14)6-9(12)11(13)15/h2-6H,1H3
InchI Key
YRFMWFLNFRIJGP-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=C(C1=O)Cl
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)Cl
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=C(C2=O)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H8ClNO3
Heavy Atom Count
16
Molecular Weight
237.642
Exact Molecular Weight
237.0193
Valence Electrons
82
Radical Electrons
0
tPSA
46.61
MolLogP
1.6911
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.5024    0.5957   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003   -0.3594    0.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3032   -0.3116    0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6638    0.6499   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874    0.6992   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168   -0.2170    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1279   -1.1765    0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5209   -1.2308    0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9473   -0.1530   -0.0469 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449   -1.1743   -0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884   -2.3232   -0.8577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2020   -0.6108   -0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740    0.6222    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7842    0.9509    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712    2.0503    0.6863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5295    1.6974    0.2680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1558    1.6234   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5379    0.5504    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346    0.3393   -1.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980    1.3796   -1.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2171    1.4557   -1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4726   -1.9171    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -1.9947    1.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083   -1.1455   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 13 16  1  0
  8  3  1  0
 14  9  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  5 21  1  0
  7 22  1  0
  8 23  1  0
 12 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers