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
   -1.6015   -2.2898   -0.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989   -1.0803   -0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -0.5077   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1747    0.7935    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743    1.1771    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986    2.3122    0.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0127   -0.0158   -0.0515 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -0.0475   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399    0.3359   -1.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250    0.3272   -1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -0.0677    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -0.4514    1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085   -0.4416    1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362   -0.9396    2.5660 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1852   -1.0103   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0128    1.4610    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6214    0.6497   -2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1041    0.6222   -1.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260   -0.0675    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280   -0.7598    2.0293 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