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
   -1.2644    2.2945    0.5480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527    1.1557    0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625    0.7821    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2473   -0.5194    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361   -1.0867    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6783   -2.2838   -0.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724   -0.0272    0.1329 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338   -0.0565   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996    0.8308   -0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665    0.8622   -1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176    0.0077   -0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -0.8688    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   -0.9114    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5302   -2.1369    1.8622 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682    1.4559    0.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1614   -1.0727    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    1.5038   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707    1.5694   -1.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885    0.0386   -0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2917   -1.5372    0.8937 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