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
    4.6771    0.3293   -1.6210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2409    0.0357   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -0.4130    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8574   -0.5345    1.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5407   -0.9338    2.2505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9779   -0.1220    0.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503    0.2338   -1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555    0.6526   -2.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -0.0347    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2239   -0.8642   -0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064   -0.7334   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2588    0.2455   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770    1.0887    0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143    0.9354    0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180   -0.6525    1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7399   -1.6363   -1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376   -1.3808   -1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433    0.3276   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933    1.8574    1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181    1.5993    1.3993 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