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
   -4.5747    1.5738    0.2310 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753    0.5355   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.7288   -0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8359   -1.1802   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4533   -2.3311   -0.8153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9503   -0.1426   -0.1165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8036    0.9734    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060    2.1308    0.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424   -0.0611   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    0.4486   -1.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    0.5499   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    0.1141    0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466   -0.4017    1.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0659   -0.4793    1.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1236   -1.3148   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756    0.7993   -1.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1684    0.9529   -1.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2415    0.1885    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381   -0.7333    2.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217   -0.8938    1.9772 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