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
    4.5942    0.5874   -1.6277 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    0.2922   -0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564    0.0729    0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8715   -0.1257    1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4976   -0.3651    2.3274 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634   -0.0192    0.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031    0.2510   -1.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914    0.4178   -2.2627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4540   -0.1256    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1502   -1.1893   -0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408   -1.1901   -0.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413   -0.1102    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992    0.9612    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1330    0.9834    0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0494    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190   -2.0319   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1206   -2.0313   -0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3325   -0.0859    0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0383    1.8143    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5787    1.8446    0.9266 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