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
   -4.6748    1.5155   -0.6841 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2205    0.5871   -0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2289   -0.7070   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438   -1.1824    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857   -2.3588    0.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709   -0.0846   -0.0581 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8374    1.0271   -0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520    2.1956   -0.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4541   -0.0358    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.4950    1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194    0.5550    1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    0.0920    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325   -0.4458   -0.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617   -0.4990   -0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0707   -1.3802    0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267    0.8505    1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527    0.9593    2.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2700    0.1313    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922   -0.7966   -1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8041   -0.9183   -1.8825 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