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
   -1.4902   -0.8994   -2.1376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -0.2719   -1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2021    0.1393   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2033    0.7829    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180    0.8255    0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751    1.3597    1.9425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675    0.1569   -0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358   -0.0428    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146    0.7700   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    0.5891   -0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2052   -0.3977    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3286   -1.2155    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782   -1.0363    0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1605   -2.1808    1.8025 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1002   -0.0232   -1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0362    1.2226    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9306    1.5593   -1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723    1.2312   -1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -0.5781    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699   -1.9908    1.4752 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