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
   -4.7251    0.9252   -1.3345 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2409    0.2300   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1805   -0.8801    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8031   -1.1517    0.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828   -2.1279    1.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9771   -0.1080   -0.0948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8795    0.7536   -0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5776    1.7972   -1.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    0.0218    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1359   -0.6219    1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256   -0.4898    1.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169    0.3134    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5361    0.9721   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1676    0.8207   -0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9980   -1.5522    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6437   -1.2576    1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0149   -1.0218    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2925    0.4315    0.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235    1.5947   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    1.3508   -1.6080 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