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
   -4.6333   -1.4898   -0.9680 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2406   -0.5761   -0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2450    0.5543    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597    0.9814    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5091    2.0100    1.2113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836    0.0225   -0.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8530   -0.9495   -0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943   -1.9532   -1.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    0.0449   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503   -0.8256    0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197   -0.8437    0.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    0.0227    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791    0.8990   -0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    0.8866   -0.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1131    1.1057    0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338   -1.4981    1.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068   -1.5562    1.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -0.0013    0.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563    1.5851   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6775    1.5813   -1.4468 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