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
    1.3254    2.4306   -0.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    1.2394   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    0.8708    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2810   -0.4419    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   -1.0048    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -2.2524    0.1866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9863    0.0416   -0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4156   -0.0682   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -0.7915   -1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -0.8753   -1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2394   -0.2497   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016    0.4769    0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2268    0.5599    0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044    1.5659    2.2456 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9961    1.5971    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984   -0.9889    0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -1.3066   -1.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9784   -1.4519   -1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3334   -0.3343   -0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1905    0.9833    1.6358 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