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
    4.7196    1.1370   -0.9964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2503    0.4284   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2106   -0.5441    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8273   -0.8910    0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -1.7738    1.6910 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695   -0.0573    0.1061 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698    0.7676   -0.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    1.6562   -1.4757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4523   -0.0103    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357    0.2427    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6201    0.2696    1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629    0.0545   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612   -0.1986   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0930   -0.2263   -1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873   -1.0261    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673    0.4166    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1944    0.4720    1.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3494    0.0810   -0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9264   -0.3727   -2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -0.4254   -2.0128 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