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
    1.5092   -1.5736    1.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304   -0.7306    0.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1972   -0.3508    0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    0.5638   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    0.8306   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187    1.6572   -1.5919 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    0.0139    0.0964 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4388    0.0097    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2014    1.1774    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    1.1677   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -0.0257   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5132   -1.2309   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242   -1.1772   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1854   -2.6770   -0.2105 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1208   -0.7201    1.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977    1.0408   -0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    2.0952    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728    2.1285    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2884   -0.0225   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0251   -2.1765   -0.3530 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