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
    4.6999    1.0229   -1.3262 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    0.3377   -0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218   -0.6353    0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -0.9287    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -1.7951    1.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9838   -0.0477   -0.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8831    0.7387   -0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4664    1.6365   -1.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364    0.0063    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1203   -0.0030    1.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177    0.0537    1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2455    0.1218    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5634    0.1311   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825    0.0738   -1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887   -1.1354    0.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5792   -0.0533    2.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621    0.0434    2.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3387    0.1682    0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1497    0.1824   -1.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6718    0.0819   -2.0610 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