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
    4.8028   -1.0548   -0.6636 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2776   -0.3211   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    0.7787    0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    1.0520    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    1.9947    1.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965    0.0353    0.0612 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -0.8360   -0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -1.8765   -1.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403   -0.0486    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507   -1.0650    0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5469   -1.1026    0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2571   -0.1404   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    0.8806   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    0.9127   -0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9905    1.3910    0.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -1.8230    1.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806   -1.9169    0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3364   -0.2016   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1177    1.6239   -1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092    1.7174   -1.1506 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