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
   -4.6789    0.7421    1.4178 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2544    0.3210    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1994   -0.1654   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236   -0.3857   -1.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3778   -0.8287   -2.2380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9912    0.0168   -0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    0.4554    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    0.8869    2.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317   -0.0093    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553    0.9513    0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5474    0.9366    0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -0.0802    0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -1.0717   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1585   -1.0046   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0919   -0.3666   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6389    1.7463    1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1019    1.6961    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957   -0.1684    0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -1.8782   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6481   -1.7937   -1.1721 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