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
    4.9014   -0.8123    0.6246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2905   -0.1393    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    1.0341   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429    1.2601   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0094    2.2688   -0.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934    0.1043    0.2102 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215   -0.7839    0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552   -1.9273    1.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.0814    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    0.9969    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    0.8619    0.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159   -0.3779    0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080   -1.4545    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0275   -1.3107    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8282    1.7293   -0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7790    1.9676    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2556    1.7378    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2911   -0.4592    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8706   -2.4301    0.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4280   -2.1841   -0.0829 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