Monomers

3-Chloro-1-phenylpyrrole-2,5-dione

Identifiers

IUPAC name
3-chloro-1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7/h1-6H
InchI Key
ZKKDYLHSRWLPSP-UHFFFAOYSA-N
SMILES
ClC1=CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C2=O)Cl
Isomeric SMILES
C1=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
C10H6ClNO2
Heavy Atom Count
14
Molecular Weight
207.616
Exact Molecular Weight
207.0087
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.6825
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
    4.9139   -0.4469    0.7709 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    0.0670    0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808    1.1172   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    1.2433   -0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0995    2.1320   -1.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558    0.2015   -0.0622 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0182   -0.5240    0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -1.5524    1.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -0.0558    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800    0.9369   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487    0.6782   -0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258   -0.5686    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190   -1.5692    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455   -1.3011    0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8518    1.7527   -0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081    1.9093   -0.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4623    1.4594   -0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2814   -0.8081    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434   -2.5639    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354   -2.1077    0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  3 15  1  0
 10 16  1  0
 11 17  1  0
 12 18  1  0
 13 19  1  0
 14 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers