Monomers

1-(2-bromophenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2-bromophenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H6BrNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InchI Key
ZTHZEDRPKCLGAR-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1Br
Canonical SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Br
Isomeric SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Br
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H6BrNO2
Heavy Atom Count
14
Molecular Weight
252.067
Exact Molecular Weight
250.9582
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.8785
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
   -1.3449   -0.8177    2.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495   -0.4815    1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605   -0.4814    0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2438   -0.0743   -0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773    0.2083   -1.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5924    0.6110   -2.1664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505   -0.0499    0.0351 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4634    0.0971   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    1.3201   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    1.4010   -0.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065    0.3182   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066   -0.8746    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272   -1.0075    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843   -2.6416    0.7599 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0351   -0.7476    1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1280    0.0438   -1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041    2.1592   -0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8799    2.3310   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773    0.4331   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1818   -1.7467    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers