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
    4.8076    1.1011    0.4133 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2751    0.2393    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138   -1.0478    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -1.3196   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2629   -2.4962   -0.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639   -0.0963    0.0471 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    0.8939    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930    2.1212    0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392    0.0523   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    1.2678   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    1.4132   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135    0.3361   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6726   -0.9083    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919   -1.0248    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9285   -1.7714    0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973    2.1276   -0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074    2.3950   -0.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2917    0.4858   -0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3361   -1.7476    0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9104   -2.0214    0.3708 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