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
    4.7934    1.0149    0.5827 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    0.2194    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390   -0.9066   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021   -1.2037   -0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1947   -2.1878   -1.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733   -0.1679   -0.0674 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608    0.7270    0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    1.7935    1.0950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469   -0.0017    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0104    1.2595    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3745    1.4281    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104    0.3427    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652   -0.9258    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.0801    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626   -1.5028   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723    2.1243    0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8262    2.4302    0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2870    0.5087    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3485   -1.7871    0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031   -2.0849    0.0661 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