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
   -1.1615   -2.4889    0.8354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691   -1.4197    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832   -1.1234    0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794    0.1115   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9692    0.6930   -0.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7286    1.8737   -0.7234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472   -0.2714    0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -0.0120   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343   -0.5780   -1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6043   -0.2981   -1.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    0.5587   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    1.1273    0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309    0.8443    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0412    1.6255    2.2145 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8713   -1.7976    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    0.6071   -0.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822   -1.2483   -1.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551   -0.7832   -1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718    0.7804   -0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    1.7993    1.4915 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