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
    1.2514   -0.7365    2.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7508   -0.5530    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441   -0.6847    0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -0.4042   -0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -0.0700   -1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    0.2409   -2.2243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.1686    0.0248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395    0.0631   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -0.9947    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826   -0.8159    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    0.4657   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3316    1.5548   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.3222   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364    2.6522   -0.3989 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9274   -0.9644    1.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789   -0.4259   -1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8849   -1.9728    0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605   -1.6695    0.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2390    0.6066   -0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    2.5547   -0.4071 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