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
    1.5221   -2.2492    0.6871 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8449   -1.0833    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541   -0.6629    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386    0.6047   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8704    1.0867   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4491    2.2073   -0.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9814   -0.0046    0.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374    0.0033    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432    0.6028    1.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5247    0.6263    1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582    0.0597    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -0.5236   -0.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -0.5589   -1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -1.3197   -2.3606 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1460   -1.2686    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000    1.2312   -0.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5475    1.0370    1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081    1.1064    1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312    0.0749    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1057   -0.9698   -1.8087 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