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
    1.3877    2.3805    0.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7748    1.2037    0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1770    0.8346    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148   -0.4653   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8570   -1.0215   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5358   -2.2360   -0.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9619    0.0470    0.1528 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477   -0.0388    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0144   -0.5269    1.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704   -0.6070    1.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1859   -0.2101    0.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938    0.2693   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244    0.3688   -0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5032    1.0339   -2.4183 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0225    1.5431    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0865   -1.0553   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3269   -0.8216    2.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132   -0.9864    2.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2729   -0.2819    0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2652    0.5699   -1.4540 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