Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H6ClNO2
Heavy Atom Count
14
Molecular Weight
207.616
Exact Molecular Weight
207.0087
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.7694
H Bond Acceptors
2
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

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.6552    0.2240    2.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233    0.1028    0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2520    0.0717    0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1915   -0.0656   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7757   -0.1315   -1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3391   -0.2629   -2.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815   -0.0277   -0.0909 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303   -0.0438    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730   -0.9045    0.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4479   -0.8832    1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381   -0.0252    0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023    0.8277   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    0.8130   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    1.9009   -1.7878 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1511    0.1531    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0465   -0.1185   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533   -1.5816    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -1.5543    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.0169    0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1674    1.5224   -1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers