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
    4.8176   -0.1589   -1.2858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2676   -0.2932   -0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -0.7734    0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046   -0.7384    1.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -1.1027    2.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -0.1837    0.0631 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    0.0927   -0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7177    0.5916   -2.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4406    0.0375   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    1.3155    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2965    1.5970   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    0.5587   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225   -0.7616   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -0.9956   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9025   -1.1341    1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621    2.1475    0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460    2.6090    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2540    0.7263   -0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -1.5397   -0.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9967   -1.9943   -0.1724 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