Monomers

1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-chlorophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
KPQOXMCRYWDRSB-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Cl
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=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
1.7694
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
    1.7523   -2.0809   -0.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8883   -1.0004    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1439   -0.5725    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    0.6036    1.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.0340    1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836    2.1223    1.4947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9261    0.0181    0.2997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146   -0.0106   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -1.1194    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -1.1471   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0764   -0.0858   -0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633    0.9998   -1.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415    1.0763   -0.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    2.5132   -1.1336 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0791   -1.1511    0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    1.1177    1.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8118   -1.9799    0.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1117   -2.0437   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1156   -0.1411   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    1.8473   -1.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers